2-[(4-chlorophenyl)methyl]indazole-7-carboxylic acid

C15H11ClN2O2 — CID 58125299

IUPAC2-[(4-chlorophenyl)methyl]indazole-7-carboxylic acid
SMILESO=C(O)c1cccc2cn(Cc3ccc(Cl)cc3)nc12
InChIInChI=1S/C15H11ClN2O2/c16-12-6-4-10(5-7-12)8-18-9-11-2-1-3-13(15(19)20)14(11)17-18/h1-7,9H,8H2,(H,19,20)
InChIKeyHMGDWHDFJMZVAI-UHFFFAOYSA-N
MW286.72 g/mol
LogP3.44
Rot. Bonds3

About 2-[(4-chlorophenyl)methyl]indazole-7-carboxylic acid

2-[(4-chlorophenyl)methyl]indazole-7-carboxylic acid (PubChem CID 58125299) has the molecular formula C15H11ClN2O2 and a molecular weight of 286.72 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methyl]indazole-7-carboxylic acid.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methyl]indazole-7-carboxylic acid
PubChem CID58125299
Molecular FormulaC15H11ClN2O2
Molecular Weight286.72 g/mol
Exact Mass286.05
IUPAC Name2-[(4-chlorophenyl)methyl]indazole-7-carboxylic acid
SMILESO=C(O)c1cccc2cn(Cc3ccc(Cl)cc3)nc12
InChIInChI=1S/C15H11ClN2O2/c16-12-6-4-10(5-7-12)8-18-9-11-2-1-3-13(15(19)20)14(11)17-18/h1-7,9H,8H2,(H,19,20)
InChIKeyHMGDWHDFJMZVAI-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

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Related Compounds

2-[(4-chlorophenyl)methyl]indazole-6-carboxylic acid
CID 176884945
2-(2-trimethylsilylethoxymethyl)indazole-7-carboxylic acid
CID 175824202
3-[(4-chlorophenyl)methyl]benzimidazole-4-carboxylic acid
CID 115932612
1-[(4-chlorophenyl)methyl]-1,2,4-triazole-3-carboxylic acid
CID 83824543
2-benzyl-5-fluoroindazole-6-carboxylic acid
CID 169188080
2-[2-(4-chlorophenyl)ethyl]-1,3-benzoxazole-4-carboxylic acid
CID 58125356
2-bromo-N-[4-bromo-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]benzamide
CID 19284205
3-tert-butyl-1-[(3-chlorophenyl)methyl]pyrazole-4-carboxylic acid
CID 63278823
1,4-dichlorobenzene;phthalic acid
CID 146444395
1-[4-bromo-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-3-naphthalen-1-ylurea
CID 19405685
1-[(4-chloro-3-fluorophenyl)methyl]-3-methylpyrazole-4-carboxylic acid
CID 114012415
1-[(3-chloro-4-fluorophenyl)methyl]pyrazole-3-carboxylic acid
CID 103038432

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methyl]indazole-7-carboxylic acid?
The IUPAC name of 2-[(4-chlorophenyl)methyl]indazole-7-carboxylic acid (CID 58125299) is 2-[(4-chlorophenyl)methyl]indazole-7-carboxylic acid.
What is the SMILES notation for 2-[(4-chlorophenyl)methyl]indazole-7-carboxylic acid?
The canonical SMILES for 2-[(4-chlorophenyl)methyl]indazole-7-carboxylic acid is O=C(O)c1cccc2cn(Cc3ccc(Cl)cc3)nc12.
What is the InChIKey of 2-[(4-chlorophenyl)methyl]indazole-7-carboxylic acid?
The InChIKey is HMGDWHDFJMZVAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN2O2/c16-12-6-4-10(5-7-12)8-18-9-11-2-1-3-13(15(19)20)14(11)17-18/h1-7,9H,8H2,(H,19,20).
What are the key properties of 2-[(4-chlorophenyl)methyl]indazole-7-carboxylic acid?
2-[(4-chlorophenyl)methyl]indazole-7-carboxylic 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 2-[(4-chlorophenyl)methyl]indazole-7-carboxylic acid is sourced from PubChem (CID 58125299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).