2-[(4-chlorophenyl)methyl]indazole-6-carboxylic acid

C15H11ClN2O2 — CID 176884945

IUPAC2-[(4-chlorophenyl)methyl]indazole-6-carboxylic acid
SMILESO=C(O)c1ccc2cn(Cc3ccc(Cl)cc3)nc2c1
InChIInChI=1S/C15H11ClN2O2/c16-13-5-1-10(2-6-13)8-18-9-12-4-3-11(15(19)20)7-14(12)17-18/h1-7,9H,8H2,(H,19,20)
InChIKeyFDGFLDZETBNVHL-UHFFFAOYSA-N
MW286.72 g/mol
LogP3.44
Rot. Bonds3

About 2-[(4-chlorophenyl)methyl]indazole-6-carboxylic acid

2-[(4-chlorophenyl)methyl]indazole-6-carboxylic acid (PubChem CID 176884945) has the molecular formula C15H11ClN2O2 and a molecular weight of 286.72 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methyl]indazole-6-carboxylic acid.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methyl]indazole-6-carboxylic acid
PubChem CID176884945
Molecular FormulaC15H11ClN2O2
Molecular Weight286.72 g/mol
Exact Mass286.05
IUPAC Name2-[(4-chlorophenyl)methyl]indazole-6-carboxylic acid
SMILESO=C(O)c1ccc2cn(Cc3ccc(Cl)cc3)nc2c1
InChIInChI=1S/C15H11ClN2O2/c16-13-5-1-10(2-6-13)8-18-9-12-4-3-11(15(19)20)7-14(12)17-18/h1-7,9H,8H2,(H,19,20)
InChIKeyFDGFLDZETBNVHL-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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Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methyl]indazole-6-carboxylic acid?
The IUPAC name of 2-[(4-chlorophenyl)methyl]indazole-6-carboxylic acid (CID 176884945) is 2-[(4-chlorophenyl)methyl]indazole-6-carboxylic acid.
What is the SMILES notation for 2-[(4-chlorophenyl)methyl]indazole-6-carboxylic acid?
The canonical SMILES for 2-[(4-chlorophenyl)methyl]indazole-6-carboxylic acid is O=C(O)c1ccc2cn(Cc3ccc(Cl)cc3)nc2c1.
What is the InChIKey of 2-[(4-chlorophenyl)methyl]indazole-6-carboxylic acid?
The InChIKey is FDGFLDZETBNVHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN2O2/c16-13-5-1-10(2-6-13)8-18-9-12-4-3-11(15(19)20)7-14(12)17-18/h1-7,9H,8H2,(H,19,20).
What are the key properties of 2-[(4-chlorophenyl)methyl]indazole-6-carboxylic acid?
2-[(4-chlorophenyl)methyl]indazole-6-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-6-carboxylic acid is sourced from PubChem (CID 176884945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).