6-chloro-5-(4-methoxyphenyl)-1H-indazole-3-carboxylic acid

C15H11ClN2O3 — CID 86698790

IUPAC6-chloro-5-(4-methoxyphenyl)-1H-indazole-3-carboxylic acid
SMILESCOc1ccc(-c2cc3c(C(=O)O)n[nH]c3cc2Cl)cc1
InChIInChI=1S/C15H11ClN2O3/c1-21-9-4-2-8(3-5-9)10-6-11-13(7-12(10)16)17-18-14(11)15(19)20/h2-7H,1H3,(H,17,18)(H,19,20)
InChIKeyWXDKLJLSBMTTFY-UHFFFAOYSA-N
MW302.72 g/mol
LogP3.59
Rot. Bonds3

About 6-chloro-5-(4-methoxyphenyl)-1H-indazole-3-carboxylic acid

6-chloro-5-(4-methoxyphenyl)-1H-indazole-3-carboxylic acid (PubChem CID 86698790) has the molecular formula C15H11ClN2O3 and a molecular weight of 302.72 g/mol. Its IUPAC name is 6-chloro-5-(4-methoxyphenyl)-1H-indazole-3-carboxylic acid.

Molecular Properties

Compound Name6-chloro-5-(4-methoxyphenyl)-1H-indazole-3-carboxylic acid
PubChem CID86698790
Molecular FormulaC15H11ClN2O3
Molecular Weight302.72 g/mol
Exact Mass302.05
IUPAC Name6-chloro-5-(4-methoxyphenyl)-1H-indazole-3-carboxylic acid
SMILESCOc1ccc(-c2cc3c(C(=O)O)n[nH]c3cc2Cl)cc1
InChIInChI=1S/C15H11ClN2O3/c1-21-9-4-2-8(3-5-9)10-6-11-13(7-12(10)16)17-18-14(11)15(19)20/h2-7H,1H3,(H,17,18)(H,19,20)
InChIKeyWXDKLJLSBMTTFY-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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Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-(4-methoxyphenyl)-1H-indazole-3-carboxylic acid?
The IUPAC name of 6-chloro-5-(4-methoxyphenyl)-1H-indazole-3-carboxylic acid (CID 86698790) is 6-chloro-5-(4-methoxyphenyl)-1H-indazole-3-carboxylic acid.
What is the SMILES notation for 6-chloro-5-(4-methoxyphenyl)-1H-indazole-3-carboxylic acid?
The canonical SMILES for 6-chloro-5-(4-methoxyphenyl)-1H-indazole-3-carboxylic acid is COc1ccc(-c2cc3c(C(=O)O)n[nH]c3cc2Cl)cc1.
What is the InChIKey of 6-chloro-5-(4-methoxyphenyl)-1H-indazole-3-carboxylic acid?
The InChIKey is WXDKLJLSBMTTFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN2O3/c1-21-9-4-2-8(3-5-9)10-6-11-13(7-12(10)16)17-18-14(11)15(19)20/h2-7H,1H3,(H,17,18)(H,19,20).
What are the key properties of 6-chloro-5-(4-methoxyphenyl)-1H-indazole-3-carboxylic acid?
6-chloro-5-(4-methoxyphenyl)-1H-indazole-3-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 6-chloro-5-(4-methoxyphenyl)-1H-indazole-3-carboxylic acid is sourced from PubChem (CID 86698790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).