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CAS 1211540-72-5 2,3-bipyridine-6-carboxylic acid molecular structure lightbox
CAS RN: 1211540-72-5

2,3-bipyridine-6-carboxylic acid

  • Product code: SSC-022733
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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: 2
  • 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 1211540-72-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 1 In Stock Shenzhen Inquiry
0.25g >95% 1 In Stock Shanghai Inquiry
1g >95% 0 Out of Stock Beijing Inquiry

1211540-72-5 / 6-pyridin-3-ylpyridine-2-carboxylic acid

[2,3'-Bipyridine]-6-carboxylic acid | 2,3'-Bipyridine-6-carboxylic acid | MFCD11100047

Standard CAS: 1211540-72-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1211540-72-5
Multi CAS
No
Molecular Formula
C11H8N2O2
Molecular Weight
200.190000
Exact Mass
200.058578
SMILES
C1=CC(=NC(=C1)C(=O)O)C2=CN=CC=C2
InChI
InChI=1S/C11H8N2O2/c14-11(15)10-5-1-4-9(13-10)8-3-2-6-12-7-8/h1-7H,(H,14,15)
InChIKey
JDIWAIVHNHCTTG-UHFFFAOYSA-N
Synonyms
[2,3'-Bipyridine]-6-carboxylic acid 2,3'-Bipyridine-6-carboxylic acid MFCD11100047 6-pyridin-3-ylpyridine-2-carboxylic acid SCHEMBL30185199

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
12
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
54.43
TPSA
63.08

LogP / Solubility

WLOGP
1.84
MLOGP
1.62
XLogP3
1.3
Consensus LogP
1.59
Log S (ESOL)
-2.7
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.53
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.73
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)
-2.63

Drug-likeness / Medicinal Chemistry

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

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