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CAS 100-54-9 3-Cyanopyridine molecular structure lightbox
CAS RN: 100-54-9

3-Cyanopyridine

Product Availability

Choose a grade to view its available package options.

3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250513 100g In stock Shanghai, Shandong, Guangdong, Chongqing, Hebei Inquiry
Batchno.20251215 2.5kg In stock Shandong, Guangdong, Hebei Inquiry
Batchno.20251228 500g In stock Shanghai, Shandong, Guangdong, Chongqing Inquiry
  • Product code: SSC-000018
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 25g, 100g, 500g, 1000g
  • Available purity: ≥98%
  • Inventory rows with stock: 3
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 100-54-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥98% 5 In Stock Shenzhen Inquiry
100g ≥98% 5 In Stock Beijing Inquiry
500g ≥98% 1 In Stock Hong Kong Inquiry
1000g ≥98% 0 Out of Stock Shenzhen Inquiry

100-54-9 / pyridine-3-carbonitrile

3-cyanopyridine | Nicotinonitrile | 100-54-9

Standard CAS: 100-54-9 Multi CAS: Yes
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
100-54-9
Multi CAS
Yes
Molecular Formula
C6H4N2
Molecular Weight
104.110000
Exact Mass
104.037448
SMILES
C1=CC(=CN=C1)C#N
InChI
InChI=1S/C6H4N2/c7-4-6-2-1-3-8-5-6/h1-3,5H
InChIKey
GZPHSAQLYPIAIN-UHFFFAOYSA-N
Synonyms
3-cyanopyridine Nicotinonitrile 100-54-9 3-PYRIDINECARBONITRILE Nicotinic acid nitrile

Physical Properties

Melting Point
51 °C
Boiling Point
206.9 °C
Density
1.1590 @ 25 °C
Physical Description
Other Solid Colorless liquid; [Hawley] Off-white crystalline solid
Appearance
NEEDLES FROM PETROLEUM ETHER Colorless liquid
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
8
Aromatic heavy atom count
6
H-bond acceptors
2
Molar refractivity
28.95
TPSA
36.68

LogP / Solubility

WLOGP
0.95
MLOGP
0.83
XLogP3
0.2
Consensus LogP
0.66
Log S (ESOL)
-1.64
Class (ESOL)
Soluble
Log S (Ali)
-1.1
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.13
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.68

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

Safety & Transport

Pictogram(s)
Corrosive Irritant Health Hazard
Signal
Danger Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (60%): Causes skin irritation [Warning Skin corrosion/irritation] H318 (42.4%): Causes serious eye damage [Danger Serious eye damage/eye irritation] H319 (57.6%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (54.1%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 P260, P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P308+P316, P319, P330, P337+P317, P405, and P501

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