3-(5-chloro-2-methoxyphenyl)-1H-indazole-5-carboxylic acid

C15H11ClN2O3 — CID 39219209

IUPAC3-(5-chloro-2-methoxyphenyl)-1H-indazole-5-carboxylic acid
SMILESCOc1ccc(Cl)cc1-c1n[nH]c2ccc(C(=O)O)cc12
InChIInChI=1S/C15H11ClN2O3/c1-21-13-5-3-9(16)7-11(13)14-10-6-8(15(19)20)2-4-12(10)17-18-14/h2-7H,1H3,(H,17,18)(H,19,20)
InChIKeyNEARZMDFIRUFHO-UHFFFAOYSA-N
MW302.72 g/mol
LogP3.59
Rot. Bonds3

About 3-(5-chloro-2-methoxyphenyl)-1H-indazole-5-carboxylic acid

3-(5-chloro-2-methoxyphenyl)-1H-indazole-5-carboxylic acid (PubChem CID 39219209) has the molecular formula C15H11ClN2O3 and a molecular weight of 302.72 g/mol. Its IUPAC name is 3-(5-chloro-2-methoxyphenyl)-1H-indazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(5-chloro-2-methoxyphenyl)-1H-indazole-5-carboxylic acid
PubChem CID39219209
Molecular FormulaC15H11ClN2O3
Molecular Weight302.72 g/mol
Exact Mass302.05
IUPAC Name3-(5-chloro-2-methoxyphenyl)-1H-indazole-5-carboxylic acid
SMILESCOc1ccc(Cl)cc1-c1n[nH]c2ccc(C(=O)O)cc12
InChIInChI=1S/C15H11ClN2O3/c1-21-13-5-3-9(16)7-11(13)14-10-6-8(15(19)20)2-4-12(10)17-18-14/h2-7H,1H3,(H,17,18)(H,19,20)
InChIKeyNEARZMDFIRUFHO-UHFFFAOYSA-N
XLogP3.59
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.72
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-methoxy-5-methylphenyl)-1H-indazole-6-carboxylic acid
CID 39218703
4-chloro-3-(5-chloro-2-methoxyphenyl)benzoic acid
CID 53227581
3-(2,5-dichlorophenyl)-4-methoxybenzoic acid
CID 54912392
3-(5-chloro-2-methoxyphenyl)-1H-pyrazole-5-carboxylic acid
CID 3313057
5-(5-chloro-2-methoxyphenyl)pyridine-3-carboxylic acid
CID 52984128
5-(5-chloro-2-methoxyphenyl)-2H-triazole-4-carboxamide
CID 169402198
2-bromo-4-(5-chloro-2-methoxyphenyl)-1,3-thiazole-5-carboxylic acid
CID 66847284
4-(4-chloro-2-methoxyphenyl)-3-methylbenzoic acid
CID 53227532
4-(5-chloro-2-methoxyphenyl)phthalic acid
CID 21072423
4-[[3-(4-methoxyphenyl)-1H-indazol-5-yl]carbamoyl]benzoic acid
CID 22479778
3-(3,5-dimethyl-1H-pyrazol-4-yl)-4-methoxybenzoic acid
CID 82039745
3-fluoro-4-(1H-indazol-3-yl)benzoic acid
CID 118285872

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-2-methoxyphenyl)-1H-indazole-5-carboxylic acid?
The IUPAC name of 3-(5-chloro-2-methoxyphenyl)-1H-indazole-5-carboxylic acid (CID 39219209) is 3-(5-chloro-2-methoxyphenyl)-1H-indazole-5-carboxylic acid.
What is the SMILES notation for 3-(5-chloro-2-methoxyphenyl)-1H-indazole-5-carboxylic acid?
The canonical SMILES for 3-(5-chloro-2-methoxyphenyl)-1H-indazole-5-carboxylic acid is COc1ccc(Cl)cc1-c1n[nH]c2ccc(C(=O)O)cc12.
What is the InChIKey of 3-(5-chloro-2-methoxyphenyl)-1H-indazole-5-carboxylic acid?
The InChIKey is NEARZMDFIRUFHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN2O3/c1-21-13-5-3-9(16)7-11(13)14-10-6-8(15(19)20)2-4-12(10)17-18-14/h2-7H,1H3,(H,17,18)(H,19,20).
What are the key properties of 3-(5-chloro-2-methoxyphenyl)-1H-indazole-5-carboxylic acid?
3-(5-chloro-2-methoxyphenyl)-1H-indazole-5-carboxylic acid has a molecular weight of 302.72 g/mol, XLogP of 3.59, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-2-methoxyphenyl)-1H-indazole-5-carboxylic acid is sourced from PubChem (CID 39219209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).