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CAS 1620-76-4 2-Cyano-4-methylpyridine molecular structure lightbox
CAS RN: 1620-76-4

2-Cyano-4-methylpyridine

  • Product code: SSC-069490
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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: 100g, 5g, 10g, 1g, 25g, 500g
  • Available purity: >97%
  • Inventory rows with stock: 5
  • 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 1620-76-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
100g >97% 4 In Stock Shenzhen Inquiry
5g >97% 3 In Stock Hong Kong Inquiry
10g >97% 3 In Stock Hong Kong Inquiry
1g >97% 2 In Stock Beijing Inquiry
25g >97% 1 In Stock Shanghai Inquiry
500g >97% 0 Out of Stock Hong Kong Inquiry

1620-76-4 / 4-methylpyridine-2-carbonitrile

Standard CAS: 1620-76-4 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1620-76-4
Multi CAS
No
Molecular Formula
C7H6N2
Molecular Weight
118.140000
Exact Mass
118.053098
SMILES
CC1=CC(=NC=C1)C#N
InChI
InChI=1S/C7H6N2/c1-6-2-3-9-7(4-6)5-8/h2-4H,1H3
InChIKey
LQAWSWUFSHYCHP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Aromatic heavy atom count
6
Fraction Csp3
0.14
H-bond acceptors
2
Molar refractivity
33.69
TPSA
36.68

LogP / Solubility

WLOGP
1.26
MLOGP
1.1
XLogP3
1
Consensus LogP
1.12
Log S (ESOL)
-1.86
Class (ESOL)
Soluble
Log S (Ali)
-1.44
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.48
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)
-2.54

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 Acute Toxic Irritant
Signal
Danger
GHS Hazard Statements
H301 (91.1%): Toxic if swallowed [Danger Acute toxicity, oral] H315 (91.1%): Causes skin irritation [Warning Skin corrosion/irritation] H318 (88.9%): Causes serious eye damage [Danger Serious eye damage/eye irritation] H319 (11.1%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (88.9%): 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+P316, 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

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