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CAS 1086423-62-2 5-b]pyridine molecular structure lightbox
CAS RN: 1086423-62-2

5-b]pyridine

  • Product code: SSC-009956
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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 1086423-62-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 5 In Stock Shanghai Inquiry
0.25g >95% 5 In Stock Shanghai Inquiry
1g >95% 1 In Stock Shanghai Inquiry

1086423-62-2 / 7-chloro-2-methyl-1H-imidazo[4,5-b]pyridine

7-Chloro-2-methyl-3H-imidazo[4,5-b]pyridine | 5-b]pyridine | 7-chloro-2-methyl-1H-imidazo[4,5-b]pyridine

Standard CAS: 1086423-62-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1086423-62-2
Multi CAS
No
Molecular Formula
C7H6ClN3
Molecular Weight
167.590000
Exact Mass
167.025025
SMILES
CC1=NC2=NC=CC(=C2N1)Cl
InChI
InChI=1S/C7H6ClN3/c1-4-10-6-5(8)2-3-9-7(6)11-4/h2-3H,1H3,(H,9,10,11)
InChIKey
YNRKVIRCMZUTOF-UHFFFAOYSA-N
Synonyms
7-Chloro-2-methyl-3H-imidazo[4,5-b]pyridine 5-b]pyridine 7-chloro-2-methyl-1H-imidazo[4,5-b]pyridine MFCD13190300 SCHEMBL4753601

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
9
Fraction Csp3
0.14
H-bond acceptors
2
H-bond donors
1
Molar refractivity
43.64
TPSA
41.57

LogP / Solubility

WLOGP
1.92
MLOGP
1.69
XLogP3
1.8
Consensus LogP
1.8
Log S (ESOL)
-2.69
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.32
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.34
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.38

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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