5-(2-fluoro-4-methoxyphenyl)-6-methyl-1H-indazole-3-carboxylic acid

C16H13FN2O3 — CID 86698796

IUPAC5-(2-fluoro-4-methoxyphenyl)-6-methyl-1H-indazole-3-carboxylic acid
SMILESCOc1ccc(-c2cc3c(C(=O)O)n[nH]c3cc2C)c(F)c1
InChIInChI=1S/C16H13FN2O3/c1-8-5-14-12(15(16(20)21)19-18-14)7-11(8)10-4-3-9(22-2)6-13(10)17/h3-7H,1-2H3,(H,18,19)(H,20,21)
InChIKeyHEGUDUNJCNJEQS-UHFFFAOYSA-N
MW300.29 g/mol
LogP3.38
Rot. Bonds3

About 5-(2-fluoro-4-methoxyphenyl)-6-methyl-1H-indazole-3-carboxylic acid

5-(2-fluoro-4-methoxyphenyl)-6-methyl-1H-indazole-3-carboxylic acid (PubChem CID 86698796) has the molecular formula C16H13FN2O3 and a molecular weight of 300.29 g/mol. Its IUPAC name is 5-(2-fluoro-4-methoxyphenyl)-6-methyl-1H-indazole-3-carboxylic acid.

Molecular Properties

Compound Name5-(2-fluoro-4-methoxyphenyl)-6-methyl-1H-indazole-3-carboxylic acid
PubChem CID86698796
Molecular FormulaC16H13FN2O3
Molecular Weight300.29 g/mol
Exact Mass300.09
IUPAC Name5-(2-fluoro-4-methoxyphenyl)-6-methyl-1H-indazole-3-carboxylic acid
SMILESCOc1ccc(-c2cc3c(C(=O)O)n[nH]c3cc2C)c(F)c1
InChIInChI=1S/C16H13FN2O3/c1-8-5-14-12(15(16(20)21)19-18-14)7-11(8)10-4-3-9(22-2)6-13(10)17/h3-7H,1-2H3,(H,18,19)(H,20,21)
InChIKeyHEGUDUNJCNJEQS-UHFFFAOYSA-N
XLogP3.38
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.29
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2-fluoro-4-methoxyphenyl)-6-methyl-1H-indazole-3-carboxylic acid?
The IUPAC name of 5-(2-fluoro-4-methoxyphenyl)-6-methyl-1H-indazole-3-carboxylic acid (CID 86698796) is 5-(2-fluoro-4-methoxyphenyl)-6-methyl-1H-indazole-3-carboxylic acid.
What is the SMILES notation for 5-(2-fluoro-4-methoxyphenyl)-6-methyl-1H-indazole-3-carboxylic acid?
The canonical SMILES for 5-(2-fluoro-4-methoxyphenyl)-6-methyl-1H-indazole-3-carboxylic acid is COc1ccc(-c2cc3c(C(=O)O)n[nH]c3cc2C)c(F)c1.
What is the InChIKey of 5-(2-fluoro-4-methoxyphenyl)-6-methyl-1H-indazole-3-carboxylic acid?
The InChIKey is HEGUDUNJCNJEQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2O3/c1-8-5-14-12(15(16(20)21)19-18-14)7-11(8)10-4-3-9(22-2)6-13(10)17/h3-7H,1-2H3,(H,18,19)(H,20,21).
What are the key properties of 5-(2-fluoro-4-methoxyphenyl)-6-methyl-1H-indazole-3-carboxylic acid?
5-(2-fluoro-4-methoxyphenyl)-6-methyl-1H-indazole-3-carboxylic acid has a molecular weight of 300.29 g/mol, XLogP of 3.38, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluoro-4-methoxyphenyl)-6-methyl-1H-indazole-3-carboxylic acid is sourced from PubChem (CID 86698796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).