6-(3-fluoro-4-methylanilino)pyridine-2-carboxylic acid

C13H11FN2O2 — CID 55052980

IUPAC6-(3-fluoro-4-methylanilino)pyridine-2-carboxylic acid
SMILESCc1ccc(Nc2cccc(C(=O)O)n2)cc1F
InChIInChI=1S/C13H11FN2O2/c1-8-5-6-9(7-10(8)14)15-12-4-2-3-11(16-12)13(17)18/h2-7H,1H3,(H,15,16)(H,17,18)
InChIKeyPVTZHUYYEGJGQB-UHFFFAOYSA-N
MW246.24 g/mol
LogP2.97
Rot. Bonds3

About 6-(3-fluoro-4-methylanilino)pyridine-2-carboxylic acid

6-(3-fluoro-4-methylanilino)pyridine-2-carboxylic acid (PubChem CID 55052980) has the molecular formula C13H11FN2O2 and a molecular weight of 246.24 g/mol. Its IUPAC name is 6-(3-fluoro-4-methylanilino)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-(3-fluoro-4-methylanilino)pyridine-2-carboxylic acid
PubChem CID55052980
Molecular FormulaC13H11FN2O2
Molecular Weight246.24 g/mol
Exact Mass246.08
IUPAC Name6-(3-fluoro-4-methylanilino)pyridine-2-carboxylic acid
SMILESCc1ccc(Nc2cccc(C(=O)O)n2)cc1F
InChIInChI=1S/C13H11FN2O2/c1-8-5-6-9(7-10(8)14)15-12-4-2-3-11(16-12)13(17)18/h2-7H,1H3,(H,15,16)(H,17,18)
InChIKeyPVTZHUYYEGJGQB-UHFFFAOYSA-N
XLogP2.97
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.24
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(3-fluoro-4-methylanilino)pyridine-2-carboxylic acid?
The IUPAC name of 6-(3-fluoro-4-methylanilino)pyridine-2-carboxylic acid (CID 55052980) is 6-(3-fluoro-4-methylanilino)pyridine-2-carboxylic acid.
What is the SMILES notation for 6-(3-fluoro-4-methylanilino)pyridine-2-carboxylic acid?
The canonical SMILES for 6-(3-fluoro-4-methylanilino)pyridine-2-carboxylic acid is Cc1ccc(Nc2cccc(C(=O)O)n2)cc1F.
What is the InChIKey of 6-(3-fluoro-4-methylanilino)pyridine-2-carboxylic acid?
The InChIKey is PVTZHUYYEGJGQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN2O2/c1-8-5-6-9(7-10(8)14)15-12-4-2-3-11(16-12)13(17)18/h2-7H,1H3,(H,15,16)(H,17,18).
What are the key properties of 6-(3-fluoro-4-methylanilino)pyridine-2-carboxylic acid?
6-(3-fluoro-4-methylanilino)pyridine-2-carboxylic acid has a molecular weight of 246.24 g/mol, XLogP of 2.97, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-fluoro-4-methylanilino)pyridine-2-carboxylic acid is sourced from PubChem (CID 55052980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).