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CAS 1190312-13-0 3-Chloro-4-azaindole-5-carboxylic acid molecular structure lightbox
CAS RN: 1190312-13-0

3-Chloro-4-azaindole-5-carboxylic acid

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250412 50mg / 100mg / 250mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS1190312-13-0
  • Purity/Analytical Methods: >99.0%
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1190312-13-0 / 3-chloro-1H-pyrrolo[3,2-b]pyridine-5-carboxylic acid

3-chloro-1H-pyrrolo[3,2-b]pyridine-5-carboxylic acid | 1H-PYRROLO[3,2-B]PYRIDINE-5-CARBOXYLIC ACID, 3-CHLORO- | H27294

Standard CAS: 1190312-13-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1190312-13-0
Multi CAS
No
Molecular Formula
C8H5ClN2O2
Molecular Weight
196.590000
Exact Mass
196.003955
SMILES
C1=CC(=NC2=C1NC=C2Cl)C(=O)O
InChI
InChI=1S/C8H5ClN2O2/c9-4-3-10-5-1-2-6(8(12)13)11-7(4)5/h1-3,10H,(H,12,13)
InChIKey
JGSIZSKEMQQNFL-UHFFFAOYSA-N
Synonyms
3-chloro-1H-pyrrolo[3,2-b]pyridine-5-carboxylic acid 1H-PYRROLO[3,2-B]PYRIDINE-5-CARBOXYLIC ACID, 3-CHLORO- H27294 3-chloro-1H-pyrrolo[3,2-b]pyridine-5-carboxylicacid

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
9
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
48.06
TPSA
65.98

LogP / Solubility

WLOGP
1.91
MLOGP
1.68
XLogP3
1.6
Consensus LogP
1.73
Log S (ESOL)
-2.71
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.55
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.65
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)
-2.56

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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