4-(2-fluoro-4-methylanilino)-1H-indazole-5-carboxylic acid

C15H12FN3O2 — CID 91296865

IUPAC4-(2-fluoro-4-methylanilino)-1H-indazole-5-carboxylic acid
SMILESCc1ccc(Nc2c(C(=O)O)ccc3[nH]ncc23)c(F)c1
InChIInChI=1S/C15H12FN3O2/c1-8-2-4-13(11(16)6-8)18-14-9(15(20)21)3-5-12-10(14)7-17-19-12/h2-7,18H,1H3,(H,17,19)(H,20,21)
InChIKeyOWTHGDZLXOZERH-UHFFFAOYSA-N
MW285.28 g/mol
LogP3.45
Rot. Bonds3

About 4-(2-fluoro-4-methylanilino)-1H-indazole-5-carboxylic acid

4-(2-fluoro-4-methylanilino)-1H-indazole-5-carboxylic acid (PubChem CID 91296865) has the molecular formula C15H12FN3O2 and a molecular weight of 285.28 g/mol. Its IUPAC name is 4-(2-fluoro-4-methylanilino)-1H-indazole-5-carboxylic acid.

Molecular Properties

Compound Name4-(2-fluoro-4-methylanilino)-1H-indazole-5-carboxylic acid
PubChem CID91296865
Molecular FormulaC15H12FN3O2
Molecular Weight285.28 g/mol
Exact Mass285.09
IUPAC Name4-(2-fluoro-4-methylanilino)-1H-indazole-5-carboxylic acid
SMILESCc1ccc(Nc2c(C(=O)O)ccc3[nH]ncc23)c(F)c1
InChIInChI=1S/C15H12FN3O2/c1-8-2-4-13(11(16)6-8)18-14-9(15(20)21)3-5-12-10(14)7-17-19-12/h2-7,18H,1H3,(H,17,19)(H,20,21)
InChIKeyOWTHGDZLXOZERH-UHFFFAOYSA-N
XLogP3.45
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.28
LogP ≤ 53.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoro-4-methylanilino)-1H-indazole-5-carboxylic acid?
The IUPAC name of 4-(2-fluoro-4-methylanilino)-1H-indazole-5-carboxylic acid (CID 91296865) is 4-(2-fluoro-4-methylanilino)-1H-indazole-5-carboxylic acid.
What is the SMILES notation for 4-(2-fluoro-4-methylanilino)-1H-indazole-5-carboxylic acid?
The canonical SMILES for 4-(2-fluoro-4-methylanilino)-1H-indazole-5-carboxylic acid is Cc1ccc(Nc2c(C(=O)O)ccc3[nH]ncc23)c(F)c1.
What is the InChIKey of 4-(2-fluoro-4-methylanilino)-1H-indazole-5-carboxylic acid?
The InChIKey is OWTHGDZLXOZERH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3O2/c1-8-2-4-13(11(16)6-8)18-14-9(15(20)21)3-5-12-10(14)7-17-19-12/h2-7,18H,1H3,(H,17,19)(H,20,21).
What are the key properties of 4-(2-fluoro-4-methylanilino)-1H-indazole-5-carboxylic acid?
4-(2-fluoro-4-methylanilino)-1H-indazole-5-carboxylic acid has a molecular weight of 285.28 g/mol, XLogP of 3.45, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoro-4-methylanilino)-1H-indazole-5-carboxylic acid is sourced from PubChem (CID 91296865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).