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CAS 1190315-88-8 6-Cyano-4-azaindole-3-carboxylic acid molecular structure lightbox
CAS RN: 1190315-88-8

6-Cyano-4-azaindole-3-carboxylic acid

  • Product code: SSC-019372
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1190315-88-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

1190315-88-8 / 6-cyano-1H-pyrrolo[3,2-b]pyridine-3-carboxylic acid

6-Cyano-1H-pyrrolo[3,2-b]pyridine-3-carboxylic acid | 6-Cyano-1H-pyrrolo[3,2-b]pyridine-3-carboxylicacid | 6-CYANO-4-AZAINDOLE-3-CARBOXYLIC ACID

Standard CAS: 1190315-88-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1190315-88-8
Multi CAS
No
Molecular Formula
C9H5N3O2
Molecular Weight
187.150000
Exact Mass
187.038176
SMILES
C1=C(C=NC2=C1NC=C2C(=O)O)C#N
InChI
InChI=1S/C9H5N3O2/c10-2-5-1-7-8(12-3-5)6(4-11-7)9(13)14/h1,3-4,11H,(H,13,14)
InChIKey
XYLNXRPBXIKYFG-UHFFFAOYSA-N
Synonyms
6-Cyano-1H-pyrrolo[3,2-b]pyridine-3-carboxylic acid 6-Cyano-1H-pyrrolo[3,2-b]pyridine-3-carboxylicacid 6-CYANO-4-AZAINDOLE-3-CARBOXYLIC ACID DTXSID60696660 MFCD12963055

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
9
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
47.77
TPSA
89.77

LogP / Solubility

WLOGP
1.13
MLOGP
1
XLogP3
0.3
Consensus LogP
0.81
Log S (ESOL)
-2.12
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.91
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.94
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.06

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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