4-[(4-bromo-2-fluorophenyl)methyl]-1H-indazole-5-carboxylic acid

C15H10BrFN2O2 — CID 58374372

IUPAC4-[(4-bromo-2-fluorophenyl)methyl]-1H-indazole-5-carboxylic acid
SMILESO=C(O)c1ccc2[nH]ncc2c1Cc1ccc(Br)cc1F
InChIInChI=1S/C15H10BrFN2O2/c16-9-2-1-8(13(17)6-9)5-11-10(15(20)21)3-4-14-12(11)7-18-19-14/h1-4,6-7H,5H2,(H,18,19)(H,20,21)
InChIKeyZGGUVUWXVZAHEA-UHFFFAOYSA-N
MW349.16 g/mol
LogP3.75
Rot. Bonds3

About 4-[(4-bromo-2-fluorophenyl)methyl]-1H-indazole-5-carboxylic acid

4-[(4-bromo-2-fluorophenyl)methyl]-1H-indazole-5-carboxylic acid (PubChem CID 58374372) has the molecular formula C15H10BrFN2O2 and a molecular weight of 349.16 g/mol. Its IUPAC name is 4-[(4-bromo-2-fluorophenyl)methyl]-1H-indazole-5-carboxylic acid.

Molecular Properties

Compound Name4-[(4-bromo-2-fluorophenyl)methyl]-1H-indazole-5-carboxylic acid
PubChem CID58374372
Molecular FormulaC15H10BrFN2O2
Molecular Weight349.16 g/mol
Exact Mass347.99
IUPAC Name4-[(4-bromo-2-fluorophenyl)methyl]-1H-indazole-5-carboxylic acid
SMILESO=C(O)c1ccc2[nH]ncc2c1Cc1ccc(Br)cc1F
InChIInChI=1S/C15H10BrFN2O2/c16-9-2-1-8(13(17)6-9)5-11-10(15(20)21)3-4-14-12(11)7-18-19-14/h1-4,6-7H,5H2,(H,18,19)(H,20,21)
InChIKeyZGGUVUWXVZAHEA-UHFFFAOYSA-N
XLogP3.75
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.16
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-[(4-bromo-2-fluorophenyl)methyl]-1H-indazole-5-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

Frequently Asked Questions

What is the IUPAC name of 4-[(4-bromo-2-fluorophenyl)methyl]-1H-indazole-5-carboxylic acid?
The IUPAC name of 4-[(4-bromo-2-fluorophenyl)methyl]-1H-indazole-5-carboxylic acid (CID 58374372) is 4-[(4-bromo-2-fluorophenyl)methyl]-1H-indazole-5-carboxylic acid.
What is the SMILES notation for 4-[(4-bromo-2-fluorophenyl)methyl]-1H-indazole-5-carboxylic acid?
The canonical SMILES for 4-[(4-bromo-2-fluorophenyl)methyl]-1H-indazole-5-carboxylic acid is O=C(O)c1ccc2[nH]ncc2c1Cc1ccc(Br)cc1F.
What is the InChIKey of 4-[(4-bromo-2-fluorophenyl)methyl]-1H-indazole-5-carboxylic acid?
The InChIKey is ZGGUVUWXVZAHEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrFN2O2/c16-9-2-1-8(13(17)6-9)5-11-10(15(20)21)3-4-14-12(11)7-18-19-14/h1-4,6-7H,5H2,(H,18,19)(H,20,21).
What are the key properties of 4-[(4-bromo-2-fluorophenyl)methyl]-1H-indazole-5-carboxylic acid?
4-[(4-bromo-2-fluorophenyl)methyl]-1H-indazole-5-carboxylic acid has a molecular weight of 349.16 g/mol, XLogP of 3.75, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-bromo-2-fluorophenyl)methyl]-1H-indazole-5-carboxylic acid is sourced from PubChem (CID 58374372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).