6-amino-3-(2-fluoro-4-methylphenyl)pyridine-2-carboxylic acid

C13H11FN2O2 — CID 53229212

IUPAC6-amino-3-(2-fluoro-4-methylphenyl)pyridine-2-carboxylic acid
SMILESCc1ccc(-c2ccc(N)nc2C(=O)O)c(F)c1
InChIInChI=1S/C13H11FN2O2/c1-7-2-3-8(10(14)6-7)9-4-5-11(15)16-12(9)13(17)18/h2-6H,1H3,(H2,15,16)(H,17,18)
InChIKeyPLCXBNCWFXGLNB-UHFFFAOYSA-N
MW246.24 g/mol
LogP2.48
Rot. Bonds2

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

6-amino-3-(2-fluoro-4-methylphenyl)pyridine-2-carboxylic acid (PubChem CID 53229212) has the molecular formula C13H11FN2O2 and a molecular weight of 246.24 g/mol. Its IUPAC name is 6-amino-3-(2-fluoro-4-methylphenyl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-amino-3-(2-fluoro-4-methylphenyl)pyridine-2-carboxylic acid
PubChem CID53229212
Molecular FormulaC13H11FN2O2
Molecular Weight246.24 g/mol
Exact Mass246.08
IUPAC Name6-amino-3-(2-fluoro-4-methylphenyl)pyridine-2-carboxylic acid
SMILESCc1ccc(-c2ccc(N)nc2C(=O)O)c(F)c1
InChIInChI=1S/C13H11FN2O2/c1-7-2-3-8(10(14)6-7)9-4-5-11(15)16-12(9)13(17)18/h2-6H,1H3,(H2,15,16)(H,17,18)
InChIKeyPLCXBNCWFXGLNB-UHFFFAOYSA-N
XLogP2.48
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.24
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-amino-3-(2-fluoro-4-methylphenyl)pyridine-2-carboxylic acid?
The IUPAC name of 6-amino-3-(2-fluoro-4-methylphenyl)pyridine-2-carboxylic acid (CID 53229212) is 6-amino-3-(2-fluoro-4-methylphenyl)pyridine-2-carboxylic acid.
What is the SMILES notation for 6-amino-3-(2-fluoro-4-methylphenyl)pyridine-2-carboxylic acid?
The canonical SMILES for 6-amino-3-(2-fluoro-4-methylphenyl)pyridine-2-carboxylic acid is Cc1ccc(-c2ccc(N)nc2C(=O)O)c(F)c1.
What is the InChIKey of 6-amino-3-(2-fluoro-4-methylphenyl)pyridine-2-carboxylic acid?
The InChIKey is PLCXBNCWFXGLNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN2O2/c1-7-2-3-8(10(14)6-7)9-4-5-11(15)16-12(9)13(17)18/h2-6H,1H3,(H2,15,16)(H,17,18).
What are the key properties of 6-amino-3-(2-fluoro-4-methylphenyl)pyridine-2-carboxylic acid?
6-amino-3-(2-fluoro-4-methylphenyl)pyridine-2-carboxylic acid has a molecular weight of 246.24 g/mol, XLogP of 2.48, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-3-(2-fluoro-4-methylphenyl)pyridine-2-carboxylic acid is sourced from PubChem (CID 53229212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).