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CAS 1214363-66-2 [3,4′-Bipyridine]-6-carboxylic acid molecular structure lightbox
CAS RN: 1214363-66-2

[3,4′-Bipyridine]-6-carboxylic acid

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260606 50mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS1214363-66-2
  • Purity/Analytical Methods: >99.0%
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1214363-66-2 / 5-pyridin-4-ylpyridine-2-carboxylic acid

Standard CAS: 1214363-66-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1214363-66-2
Multi CAS
No
Molecular Formula
C11H8N2O2
Molecular Weight
200.190000
Exact Mass
200.058578
SMILES
C1=CC(=NC=C1C2=CC=NC=C2)C(=O)O
InChI
InChI=1S/C11H8N2O2/c14-11(15)10-2-1-9(7-13-10)8-3-5-12-6-4-8/h1-7H,(H,14,15)
InChIKey
ZQYIXAFWELUXOO-UHFFFAOYSA-N

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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