6-(2-chloro-5-fluoro-4-methylphenyl)-1H-indazole-4-carboxylic acid

C15H10ClFN2O2 — CID 166514835

IUPAC6-(2-chloro-5-fluoro-4-methylphenyl)-1H-indazole-4-carboxylic acid
SMILESCc1cc(Cl)c(-c2cc(C(=O)O)c3cn[nH]c3c2)cc1F
InChIInChI=1S/C15H10ClFN2O2/c1-7-2-12(16)9(5-13(7)17)8-3-10(15(20)21)11-6-18-19-14(11)4-8/h2-6H,1H3,(H,18,19)(H,20,21)
InChIKeyNPQMVOFJLUJVAY-UHFFFAOYSA-N
MW304.71 g/mol
LogP4.03
Rot. Bonds2

About 6-(2-chloro-5-fluoro-4-methylphenyl)-1H-indazole-4-carboxylic acid

6-(2-chloro-5-fluoro-4-methylphenyl)-1H-indazole-4-carboxylic acid (PubChem CID 166514835) has the molecular formula C15H10ClFN2O2 and a molecular weight of 304.71 g/mol. Its IUPAC name is 6-(2-chloro-5-fluoro-4-methylphenyl)-1H-indazole-4-carboxylic acid.

Molecular Properties

Compound Name6-(2-chloro-5-fluoro-4-methylphenyl)-1H-indazole-4-carboxylic acid
PubChem CID166514835
Molecular FormulaC15H10ClFN2O2
Molecular Weight304.71 g/mol
Exact Mass304.04
IUPAC Name6-(2-chloro-5-fluoro-4-methylphenyl)-1H-indazole-4-carboxylic acid
SMILESCc1cc(Cl)c(-c2cc(C(=O)O)c3cn[nH]c3c2)cc1F
InChIInChI=1S/C15H10ClFN2O2/c1-7-2-12(16)9(5-13(7)17)8-3-10(15(20)21)11-6-18-19-14(11)4-8/h2-6H,1H3,(H,18,19)(H,20,21)
InChIKeyNPQMVOFJLUJVAY-UHFFFAOYSA-N
XLogP4.03
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.71
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(2-chloro-5-fluoro-4-methylphenyl)-1H-indazole-4-carboxylic acid?
The IUPAC name of 6-(2-chloro-5-fluoro-4-methylphenyl)-1H-indazole-4-carboxylic acid (CID 166514835) is 6-(2-chloro-5-fluoro-4-methylphenyl)-1H-indazole-4-carboxylic acid.
What is the SMILES notation for 6-(2-chloro-5-fluoro-4-methylphenyl)-1H-indazole-4-carboxylic acid?
The canonical SMILES for 6-(2-chloro-5-fluoro-4-methylphenyl)-1H-indazole-4-carboxylic acid is Cc1cc(Cl)c(-c2cc(C(=O)O)c3cn[nH]c3c2)cc1F.
What is the InChIKey of 6-(2-chloro-5-fluoro-4-methylphenyl)-1H-indazole-4-carboxylic acid?
The InChIKey is NPQMVOFJLUJVAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClFN2O2/c1-7-2-12(16)9(5-13(7)17)8-3-10(15(20)21)11-6-18-19-14(11)4-8/h2-6H,1H3,(H,18,19)(H,20,21).
What are the key properties of 6-(2-chloro-5-fluoro-4-methylphenyl)-1H-indazole-4-carboxylic acid?
6-(2-chloro-5-fluoro-4-methylphenyl)-1H-indazole-4-carboxylic acid has a molecular weight of 304.71 g/mol, XLogP of 4.03, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-chloro-5-fluoro-4-methylphenyl)-1H-indazole-4-carboxylic acid is sourced from PubChem (CID 166514835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).