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CAS 1190320-51-4 4-Fluoro-6-azaindole-3-carboxylic acid molecular structure lightbox
CAS RN: 1190320-51-4

4-Fluoro-6-azaindole-3-carboxylic acid

  • Product code: SSC-019431
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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 1190320-51-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

1190320-51-4 / 4-fluoro-1H-pyrrolo[2,3-c]pyridine-3-carboxylic acid

4-fluoro-1H-pyrrolo[2,3-c]pyridine-3-carboxylic acid | 1H-Pyrrolo[2,3-c]pyridine-3-carboxylic acid, 4-fluoro- | 4-FLUORO-6-AZAINDOLE-3-CARBOXYLIC ACID

Standard CAS: 1190320-51-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1190320-51-4
Multi CAS
No
Molecular Formula
C8H5FN2O2
Molecular Weight
180.140000
Exact Mass
180.033506
SMILES
C1=C(C2=C(C=NC=C2N1)F)C(=O)O
InChI
InChI=1S/C8H5FN2O2/c9-5-2-10-3-6-7(5)4(1-11-6)8(12)13/h1-3,11H,(H,12,13)
InChIKey
DBLNRZGXAGVFRA-UHFFFAOYSA-N
Synonyms
4-fluoro-1H-pyrrolo[2,3-c]pyridine-3-carboxylic acid 1H-Pyrrolo[2,3-c]pyridine-3-carboxylic acid, 4-fluoro- 4-FLUORO-6-AZAINDOLE-3-CARBOXYLIC ACID MFCD12963385 SY396220

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
43.01
TPSA
65.98

LogP / Solubility

WLOGP
1.4
MLOGP
1.23
XLogP3
0.6
Consensus LogP
1.08
Log S (ESOL)
-2.29
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.05
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.11
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.82

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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