5-bromo-7-cyano-1H-indole-2-carboxylic acid

C10H5BrN2O2 — CID 125458482

IUPAC5-bromo-7-cyano-1H-indole-2-carboxylic acid
SMILESN#Cc1cc(Br)cc2cc(C(=O)O)[nH]c12
InChIInChI=1S/C10H5BrN2O2/c11-7-1-5-3-8(10(14)15)13-9(5)6(2-7)4-12/h1-3,13H,(H,14,15)
InChIKeyZAIMNXVTNXXSGH-UHFFFAOYSA-N
MW265.07 g/mol
LogP2.50
Rot. Bonds1

About 5-bromo-7-cyano-1H-indole-2-carboxylic acid

5-bromo-7-cyano-1H-indole-2-carboxylic acid (PubChem CID 125458482) has the molecular formula C10H5BrN2O2 and a molecular weight of 265.07 g/mol. Its IUPAC name is 5-bromo-7-cyano-1H-indole-2-carboxylic acid.

Molecular Properties

Compound Name5-bromo-7-cyano-1H-indole-2-carboxylic acid
PubChem CID125458482
Molecular FormulaC10H5BrN2O2
Molecular Weight265.07 g/mol
Exact Mass263.95
IUPAC Name5-bromo-7-cyano-1H-indole-2-carboxylic acid
SMILESN#Cc1cc(Br)cc2cc(C(=O)O)[nH]c12
InChIInChI=1S/C10H5BrN2O2/c11-7-1-5-3-8(10(14)15)13-9(5)6(2-7)4-12/h1-3,13H,(H,14,15)
InChIKeyZAIMNXVTNXXSGH-UHFFFAOYSA-N
XLogP2.50
TPSA76.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.07
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 5-bromo-7-cyano-1H-indole-2-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

3-cyano-4H-furo[3,2-b]pyrrole-5-carboxylic acid
CID 66963304
4-bromo-2-cyano-6-formylbenzoic acid
CID 118811654
6,8-dibromo-2-oxo-1H-quinoline-3-carbonitrile
CID 125424664
7-bromo-1H-pyrrolo[3,2-c]pyridine-2-carboxylic acid
CID 133059860
5-amino-7-(trifluoromethyl)-1H-indole-2-carboxylic acid
CID 82386002
7-cyano-5-propan-2-yloxy-1H-indole-2-carboxamide
CID 172970790
6-bromo-8-ethyl-2-oxo-1H-quinoline-3-carbonitrile
CID 165460783
5-bromo-7-nitro-1H-indole-2-carboxamide
CID 57476242
4-bromo-2-cyano-6-nitrobenzoic acid
CID 118821970
7-chloro-5-fluoro-1H-indole-2-carboxylic acid
CID 59529914
5-bromo-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid
CID 50990519
5-chloro-7-(trifluoromethyl)-1H-indole-2-carboxylic acid
CID 125457754

Frequently Asked Questions

What is the IUPAC name of 5-bromo-7-cyano-1H-indole-2-carboxylic acid?
The IUPAC name of 5-bromo-7-cyano-1H-indole-2-carboxylic acid (CID 125458482) is 5-bromo-7-cyano-1H-indole-2-carboxylic acid.
What is the SMILES notation for 5-bromo-7-cyano-1H-indole-2-carboxylic acid?
The canonical SMILES for 5-bromo-7-cyano-1H-indole-2-carboxylic acid is N#Cc1cc(Br)cc2cc(C(=O)O)[nH]c12.
What is the InChIKey of 5-bromo-7-cyano-1H-indole-2-carboxylic acid?
The InChIKey is ZAIMNXVTNXXSGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5BrN2O2/c11-7-1-5-3-8(10(14)15)13-9(5)6(2-7)4-12/h1-3,13H,(H,14,15).
What are the key properties of 5-bromo-7-cyano-1H-indole-2-carboxylic acid?
5-bromo-7-cyano-1H-indole-2-carboxylic acid has a molecular weight of 265.07 g/mol, XLogP of 2.50, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-7-cyano-1H-indole-2-carboxylic acid is sourced from PubChem (CID 125458482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).