1-(4-fluorophenyl)-6-methylindazole-5-carboxylic acid

C15H11FN2O2 — CID 90242362

IUPAC1-(4-fluorophenyl)-6-methylindazole-5-carboxylic acid
SMILESCc1cc2c(cnn2-c2ccc(F)cc2)cc1C(=O)O
InChIInChI=1S/C15H11FN2O2/c1-9-6-14-10(7-13(9)15(19)20)8-17-18(14)12-4-2-11(16)3-5-12/h2-8H,1H3,(H,19,20)
InChIKeyLMXRAIACIYBCPL-UHFFFAOYSA-N
MW270.26 g/mol
LogP3.17
Rot. Bonds2

About 1-(4-fluorophenyl)-6-methylindazole-5-carboxylic acid

1-(4-fluorophenyl)-6-methylindazole-5-carboxylic acid (PubChem CID 90242362) has the molecular formula C15H11FN2O2 and a molecular weight of 270.26 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-6-methylindazole-5-carboxylic acid.

Molecular Properties

Compound Name1-(4-fluorophenyl)-6-methylindazole-5-carboxylic acid
PubChem CID90242362
Molecular FormulaC15H11FN2O2
Molecular Weight270.26 g/mol
Exact Mass270.08
IUPAC Name1-(4-fluorophenyl)-6-methylindazole-5-carboxylic acid
SMILESCc1cc2c(cnn2-c2ccc(F)cc2)cc1C(=O)O
InChIInChI=1S/C15H11FN2O2/c1-9-6-14-10(7-13(9)15(19)20)8-17-18(14)12-4-2-11(16)3-5-12/h2-8H,1H3,(H,19,20)
InChIKeyLMXRAIACIYBCPL-UHFFFAOYSA-N
XLogP3.17
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.26
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-6-methylindazole-5-carboxylic acid?
The IUPAC name of 1-(4-fluorophenyl)-6-methylindazole-5-carboxylic acid (CID 90242362) is 1-(4-fluorophenyl)-6-methylindazole-5-carboxylic acid.
What is the SMILES notation for 1-(4-fluorophenyl)-6-methylindazole-5-carboxylic acid?
The canonical SMILES for 1-(4-fluorophenyl)-6-methylindazole-5-carboxylic acid is Cc1cc2c(cnn2-c2ccc(F)cc2)cc1C(=O)O.
What is the InChIKey of 1-(4-fluorophenyl)-6-methylindazole-5-carboxylic acid?
The InChIKey is LMXRAIACIYBCPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN2O2/c1-9-6-14-10(7-13(9)15(19)20)8-17-18(14)12-4-2-11(16)3-5-12/h2-8H,1H3,(H,19,20).
What are the key properties of 1-(4-fluorophenyl)-6-methylindazole-5-carboxylic acid?
1-(4-fluorophenyl)-6-methylindazole-5-carboxylic acid has a molecular weight of 270.26 g/mol, XLogP of 3.17, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-6-methylindazole-5-carboxylic acid is sourced from PubChem (CID 90242362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).