5-fluoro-1H-pyrrolo[2,3-c]pyridine-3-carboxylic acid

C8H5FN2O2 — CID 67546885

IUPAC5-fluoro-1H-pyrrolo[2,3-c]pyridine-3-carboxylic acid
SMILESO=C(O)c1c[nH]c2cnc(F)cc12
InChIInChI=1S/C8H5FN2O2/c9-7-1-4-5(8(12)13)2-10-6(4)3-11-7/h1-3,10H,(H,12,13)
InChIKeyCAAFPJNFWUVWEJ-UHFFFAOYSA-N
MW180.14 g/mol
LogP1.40
Rot. Bonds1

About 5-fluoro-1H-pyrrolo[2,3-c]pyridine-3-carboxylic acid

5-fluoro-1H-pyrrolo[2,3-c]pyridine-3-carboxylic acid (PubChem CID 67546885) has the molecular formula C8H5FN2O2 and a molecular weight of 180.14 g/mol. Its IUPAC name is 5-fluoro-1H-pyrrolo[2,3-c]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-fluoro-1H-pyrrolo[2,3-c]pyridine-3-carboxylic acid
PubChem CID67546885
Molecular FormulaC8H5FN2O2
Molecular Weight180.14 g/mol
Exact Mass180.03
IUPAC Name5-fluoro-1H-pyrrolo[2,3-c]pyridine-3-carboxylic acid
SMILESO=C(O)c1c[nH]c2cnc(F)cc12
InChIInChI=1S/C8H5FN2O2/c9-7-1-4-5(8(12)13)2-10-6(4)3-11-7/h1-3,10H,(H,12,13)
InChIKeyCAAFPJNFWUVWEJ-UHFFFAOYSA-N
XLogP1.40
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.14
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 5-fluoro-1H-pyrrolo[2,3-c]pyridine-3-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

5-fluoro-6-methyl-1H-indole-3-carboxylic acid
CID 118644697
7-fluoro-1H-pyrrolo[3,2-c]pyridine-3-carboxylic acid
CID 53413169
5-fluoro-3-pyridin-3-yl-1H-pyrrolo[2,3-c]pyridine
CID 165444709
4-(difluoromethyl)-6-fluoropyridine-3-carboxylic acid
CID 118846246
8-fluoro-4-oxo-1H-1,6-naphthyridine-3-carboxylic acid
CID 102941662
6-bromo-5-iodo-1H-indole-3-carboxylic acid
CID 126970262
7-fluoro-5-methyl-1H-indole-3-carboxylic acid
CID 130048529
5-(4-methylphenyl)-1H-indole-3-carboxylic acid
CID 82297777
7-fluoro-1H-indole-3-carboxylic acid
CID 28806320
5-(4-chlorophenyl)-1H-indole-3-carboxylic acid
CID 82306175
5-nitroso-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid
CID 88533301
6,8-difluoro-4-oxo-1H-quinoline-3-carboxylic acid
CID 5107860

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1H-pyrrolo[2,3-c]pyridine-3-carboxylic acid?
The IUPAC name of 5-fluoro-1H-pyrrolo[2,3-c]pyridine-3-carboxylic acid (CID 67546885) is 5-fluoro-1H-pyrrolo[2,3-c]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-fluoro-1H-pyrrolo[2,3-c]pyridine-3-carboxylic acid?
The canonical SMILES for 5-fluoro-1H-pyrrolo[2,3-c]pyridine-3-carboxylic acid is O=C(O)c1c[nH]c2cnc(F)cc12.
What is the InChIKey of 5-fluoro-1H-pyrrolo[2,3-c]pyridine-3-carboxylic acid?
The InChIKey is CAAFPJNFWUVWEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5FN2O2/c9-7-1-4-5(8(12)13)2-10-6(4)3-11-7/h1-3,10H,(H,12,13).
What are the key properties of 5-fluoro-1H-pyrrolo[2,3-c]pyridine-3-carboxylic acid?
5-fluoro-1H-pyrrolo[2,3-c]pyridine-3-carboxylic acid has a molecular weight of 180.14 g/mol, XLogP of 1.40, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1H-pyrrolo[2,3-c]pyridine-3-carboxylic acid is sourced from PubChem (CID 67546885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).