3-(3-chloro-2-methylphenyl)-2H-indazole-7-carboxylic acid

C15H11ClN2O2 — CID 39218805

IUPAC3-(3-chloro-2-methylphenyl)-2H-indazole-7-carboxylic acid
SMILESCc1c(Cl)cccc1-c1[nH]nc2c(C(=O)O)cccc12
InChIInChI=1S/C15H11ClN2O2/c1-8-9(4-3-7-12(8)16)13-10-5-2-6-11(15(19)20)14(10)18-17-13/h2-7H,1H3,(H,17,18)(H,19,20)
InChIKeyHEXVLTVSVJUPLE-UHFFFAOYSA-N
MW286.72 g/mol
LogP3.89
Rot. Bonds2

About 3-(3-chloro-2-methylphenyl)-2H-indazole-7-carboxylic acid

3-(3-chloro-2-methylphenyl)-2H-indazole-7-carboxylic acid (PubChem CID 39218805) has the molecular formula C15H11ClN2O2 and a molecular weight of 286.72 g/mol. Its IUPAC name is 3-(3-chloro-2-methylphenyl)-2H-indazole-7-carboxylic acid.

Molecular Properties

Compound Name3-(3-chloro-2-methylphenyl)-2H-indazole-7-carboxylic acid
PubChem CID39218805
Molecular FormulaC15H11ClN2O2
Molecular Weight286.72 g/mol
Exact Mass286.05
IUPAC Name3-(3-chloro-2-methylphenyl)-2H-indazole-7-carboxylic acid
SMILESCc1c(Cl)cccc1-c1[nH]nc2c(C(=O)O)cccc12
InChIInChI=1S/C15H11ClN2O2/c1-8-9(4-3-7-12(8)16)13-10-5-2-6-11(15(19)20)14(10)18-17-13/h2-7H,1H3,(H,17,18)(H,19,20)
InChIKeyHEXVLTVSVJUPLE-UHFFFAOYSA-N
XLogP3.89
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.72
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-2-methylphenyl)-2H-indazole-7-carboxylic acid?
The IUPAC name of 3-(3-chloro-2-methylphenyl)-2H-indazole-7-carboxylic acid (CID 39218805) is 3-(3-chloro-2-methylphenyl)-2H-indazole-7-carboxylic acid.
What is the SMILES notation for 3-(3-chloro-2-methylphenyl)-2H-indazole-7-carboxylic acid?
The canonical SMILES for 3-(3-chloro-2-methylphenyl)-2H-indazole-7-carboxylic acid is Cc1c(Cl)cccc1-c1[nH]nc2c(C(=O)O)cccc12.
What is the InChIKey of 3-(3-chloro-2-methylphenyl)-2H-indazole-7-carboxylic acid?
The InChIKey is HEXVLTVSVJUPLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN2O2/c1-8-9(4-3-7-12(8)16)13-10-5-2-6-11(15(19)20)14(10)18-17-13/h2-7H,1H3,(H,17,18)(H,19,20).
What are the key properties of 3-(3-chloro-2-methylphenyl)-2H-indazole-7-carboxylic acid?
3-(3-chloro-2-methylphenyl)-2H-indazole-7-carboxylic acid has a molecular weight of 286.72 g/mol, XLogP of 3.89, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-2-methylphenyl)-2H-indazole-7-carboxylic acid is sourced from PubChem (CID 39218805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).