3-chloro-4-(indazol-1-ylmethyl)benzoic acid

C15H11ClN2O2 — CID 102670055

IUPAC3-chloro-4-(indazol-1-ylmethyl)benzoic acid
SMILESO=C(O)c1ccc(Cn2ncc3ccccc32)c(Cl)c1
InChIInChI=1S/C15H11ClN2O2/c16-13-7-10(15(19)20)5-6-12(13)9-18-14-4-2-1-3-11(14)8-17-18/h1-8H,9H2,(H,19,20)
InChIKeyMMKDBVROSCOPLK-UHFFFAOYSA-N
MW286.72 g/mol
LogP3.44
Rot. Bonds3

About 3-chloro-4-(indazol-1-ylmethyl)benzoic acid

3-chloro-4-(indazol-1-ylmethyl)benzoic acid (PubChem CID 102670055) has the molecular formula C15H11ClN2O2 and a molecular weight of 286.72 g/mol. Its IUPAC name is 3-chloro-4-(indazol-1-ylmethyl)benzoic acid.

Molecular Properties

Compound Name3-chloro-4-(indazol-1-ylmethyl)benzoic acid
PubChem CID102670055
Molecular FormulaC15H11ClN2O2
Molecular Weight286.72 g/mol
Exact Mass286.05
IUPAC Name3-chloro-4-(indazol-1-ylmethyl)benzoic acid
SMILESO=C(O)c1ccc(Cn2ncc3ccccc32)c(Cl)c1
InChIInChI=1S/C15H11ClN2O2/c16-13-7-10(15(19)20)5-6-12(13)9-18-14-4-2-1-3-11(14)8-17-18/h1-8H,9H2,(H,19,20)
InChIKeyMMKDBVROSCOPLK-UHFFFAOYSA-N
XLogP3.44
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.72
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-chloro-4-(indazol-1-ylmethyl)benzoic 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-(indazol-1-ylmethyl)furan-3-carboxylic acid
CID 62267281
1-[(4-phenylphenyl)methyl]indazole-5-carboxylic acid
CID 169187967
4-chloro-3-indazol-1-ylbenzoic acid
CID 82514554
1-(naphthalen-2-ylmethyl)indazole-5-carboxylic acid
CID 169188030
2-amino-6-(indazol-1-ylmethyl)benzoic acid
CID 104824957
4-[(3-bromoindol-1-yl)methyl]-3-chlorobenzoic acid
CID 102670056
1-[(2-chloro-5-nitrophenyl)methyl]indazole
CID 62140370
N-hydroxy-4-(indazol-1-ylmethyl)-N-methylbenzamide
CID 168655042
3-(2-indazol-1-ylethoxy)benzoic acid
CID 62141673
1-[[5-chloro-1-(2-methylpropyl)indazol-7-yl]methyl]indazole-5-carboxylic acid
CID 91826286
3-fluoro-4-(indazol-1-ylmethyl)benzenecarboximidamide
CID 62141885
1-(3-chlorophenyl)-2-indazol-1-ylethanone
CID 62141890

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-(indazol-1-ylmethyl)benzoic acid?
The IUPAC name of 3-chloro-4-(indazol-1-ylmethyl)benzoic acid (CID 102670055) is 3-chloro-4-(indazol-1-ylmethyl)benzoic acid.
What is the SMILES notation for 3-chloro-4-(indazol-1-ylmethyl)benzoic acid?
The canonical SMILES for 3-chloro-4-(indazol-1-ylmethyl)benzoic acid is O=C(O)c1ccc(Cn2ncc3ccccc32)c(Cl)c1.
What is the InChIKey of 3-chloro-4-(indazol-1-ylmethyl)benzoic acid?
The InChIKey is MMKDBVROSCOPLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN2O2/c16-13-7-10(15(19)20)5-6-12(13)9-18-14-4-2-1-3-11(14)8-17-18/h1-8H,9H2,(H,19,20).
What are the key properties of 3-chloro-4-(indazol-1-ylmethyl)benzoic acid?
3-chloro-4-(indazol-1-ylmethyl)benzoic acid has a molecular weight of 286.72 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-(indazol-1-ylmethyl)benzoic acid is sourced from PubChem (CID 102670055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).