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CAS 112451-60-2 2-Pyridinecarbonitrile,6-propyl-(9CI) molecular structure lightbox
CAS RN: 112451-60-2

2-Pyridinecarbonitrile,6-propyl-(9CI)

  • Product code: SSC-012877
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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: 0.1g, 0.25g, 1g
  • Available purity: >95%
  • 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 112451-60-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 1 In Stock Beijing Inquiry
0.25g >95% 1 In Stock Shenzhen Inquiry
1g >95% 1 In Stock Hong Kong Inquiry

112451-60-2 / 6-propylpyridine-2-carbonitrile

6-propylpicolinonitrile | 6-PROPYLPYRIDINE-2-CARBONITRILE | 2-Pyridinecarbonitrile,6-propyl-(9CI)

Standard CAS: 112451-60-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
112451-60-2
Multi CAS
No
Molecular Formula
C9H10N2
Molecular Weight
146.190000
Exact Mass
146.084398
SMILES
CCCC1=NC(=CC=C1)C#N
InChI
InChI=1S/C9H10N2/c1-2-4-8-5-3-6-9(7-10)11-8/h3,5-6H,2,4H2,1H3
InChIKey
JOMRBZRNBUFJBZ-UHFFFAOYSA-N
Synonyms
6-propylpicolinonitrile 6-PROPYLPYRIDINE-2-CARBONITRILE 2-Pyridinecarbonitrile,6-propyl-(9CI) 2-Cyano-6-n-propylpyridine SCHEMBL5232016

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
42.95
TPSA
36.68

LogP / Solubility

WLOGP
1.91
MLOGP
1.67
XLogP3
1.6
Consensus LogP
1.73
Log S (ESOL)
-2.22
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.13
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.43
Class (SILICOS-IT)
Moderately 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)
-2.26

Drug-likeness / Medicinal Chemistry

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

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