3-acetyl-1H-pyrrolo[2,3-b]pyridine-6-carboxylic acid

C10H8N2O3 — CID 123135096

IUPAC3-acetyl-1H-pyrrolo[2,3-b]pyridine-6-carboxylic acid
SMILESCC(=O)c1c[nH]c2nc(C(=O)O)ccc12
InChIInChI=1S/C10H8N2O3/c1-5(13)7-4-11-9-6(7)2-3-8(12-9)10(14)15/h2-4H,1H3,(H,11,12)(H,14,15)
InChIKeyWZVNMBYSXQKTJZ-UHFFFAOYSA-N
MW204.18 g/mol
LogP1.46
Rot. Bonds2

About 3-acetyl-1H-pyrrolo[2,3-b]pyridine-6-carboxylic acid

3-acetyl-1H-pyrrolo[2,3-b]pyridine-6-carboxylic acid (PubChem CID 123135096) has the molecular formula C10H8N2O3 and a molecular weight of 204.18 g/mol. Its IUPAC name is 3-acetyl-1H-pyrrolo[2,3-b]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name3-acetyl-1H-pyrrolo[2,3-b]pyridine-6-carboxylic acid
PubChem CID123135096
Molecular FormulaC10H8N2O3
Molecular Weight204.18 g/mol
Exact Mass204.05
IUPAC Name3-acetyl-1H-pyrrolo[2,3-b]pyridine-6-carboxylic acid
SMILESCC(=O)c1c[nH]c2nc(C(=O)O)ccc12
InChIInChI=1S/C10H8N2O3/c1-5(13)7-4-11-9-6(7)2-3-8(12-9)10(14)15/h2-4H,1H3,(H,11,12)(H,14,15)
InChIKeyWZVNMBYSXQKTJZ-UHFFFAOYSA-N
XLogP1.46
TPSA83.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.18
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-acetyl-1H-pyrrolo[2,3-b]pyridine-6-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(6-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone
CID 71721068
3-fluoro-1H-pyrrolo[2,3-b]pyridine-6-carboxylic acid
CID 123135182
1-(6-acetyl-3,8-dihydroindolo[7,6-g]indol-2-yl)ethanone
CID 12515702
1-(5-hydroxy-1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone
CID 123135084
1-(1H-pyrrolo[2,3-b]pyridin-6-yl)ethanone
CID 71743048
7-oxo-8H-1,8-naphthyridine-2-carboxylic acid
CID 67907967
3-acetyl-5-propan-2-yl-1H-indole-7-carboxylic acid
CID 83948065
1-(7-chloro-1H-pyrrolo[3,2-c]pyridin-3-yl)ethanone
CID 133058495
1H-benzo[g]indole-3-carboxylic acid
CID 12505804
4-oxo-7-(2,4,6-trimethylphenyl)sulfonyloxy-1H-1,8-naphthyridine-3-carboxylic acid
CID 151889618
1-(4-amino-1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone
CID 123135068
2-iodo-1H-pyrrolo[2,3-b]pyridine-6-carboxylic acid
CID 126970326

Frequently Asked Questions

What is the IUPAC name of 3-acetyl-1H-pyrrolo[2,3-b]pyridine-6-carboxylic acid?
The IUPAC name of 3-acetyl-1H-pyrrolo[2,3-b]pyridine-6-carboxylic acid (CID 123135096) is 3-acetyl-1H-pyrrolo[2,3-b]pyridine-6-carboxylic acid.
What is the SMILES notation for 3-acetyl-1H-pyrrolo[2,3-b]pyridine-6-carboxylic acid?
The canonical SMILES for 3-acetyl-1H-pyrrolo[2,3-b]pyridine-6-carboxylic acid is CC(=O)c1c[nH]c2nc(C(=O)O)ccc12.
What is the InChIKey of 3-acetyl-1H-pyrrolo[2,3-b]pyridine-6-carboxylic acid?
The InChIKey is WZVNMBYSXQKTJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O3/c1-5(13)7-4-11-9-6(7)2-3-8(12-9)10(14)15/h2-4H,1H3,(H,11,12)(H,14,15).
What are the key properties of 3-acetyl-1H-pyrrolo[2,3-b]pyridine-6-carboxylic acid?
3-acetyl-1H-pyrrolo[2,3-b]pyridine-6-carboxylic acid has a molecular weight of 204.18 g/mol, XLogP of 1.46, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-1H-pyrrolo[2,3-b]pyridine-6-carboxylic acid is sourced from PubChem (CID 123135096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).