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

C13H11FN2O2 — CID 55053325

IUPAC6-(3-fluoro-N-methylanilino)pyridine-2-carboxylic acid
SMILESCN(c1cccc(F)c1)c1cccc(C(=O)O)n1
InChIInChI=1S/C13H11FN2O2/c1-16(10-5-2-4-9(14)8-10)12-7-3-6-11(15-12)13(17)18/h2-8H,1H3,(H,17,18)
InChIKeyKZQVMIKONVPHQW-UHFFFAOYSA-N
MW246.24 g/mol
LogP2.69
Rot. Bonds3

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

6-(3-fluoro-N-methylanilino)pyridine-2-carboxylic acid (PubChem CID 55053325) has the molecular formula C13H11FN2O2 and a molecular weight of 246.24 g/mol. Its IUPAC name is 6-(3-fluoro-N-methylanilino)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-(3-fluoro-N-methylanilino)pyridine-2-carboxylic acid
PubChem CID55053325
Molecular FormulaC13H11FN2O2
Molecular Weight246.24 g/mol
Exact Mass246.08
IUPAC Name6-(3-fluoro-N-methylanilino)pyridine-2-carboxylic acid
SMILESCN(c1cccc(F)c1)c1cccc(C(=O)O)n1
InChIInChI=1S/C13H11FN2O2/c1-16(10-5-2-4-9(14)8-10)12-7-3-6-11(15-12)13(17)18/h2-8H,1H3,(H,17,18)
InChIKeyKZQVMIKONVPHQW-UHFFFAOYSA-N
XLogP2.69
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.24
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(3-fluoro-N-methylanilino)pyridine-2-carboxylic acid?
The IUPAC name of 6-(3-fluoro-N-methylanilino)pyridine-2-carboxylic acid (CID 55053325) is 6-(3-fluoro-N-methylanilino)pyridine-2-carboxylic acid.
What is the SMILES notation for 6-(3-fluoro-N-methylanilino)pyridine-2-carboxylic acid?
The canonical SMILES for 6-(3-fluoro-N-methylanilino)pyridine-2-carboxylic acid is CN(c1cccc(F)c1)c1cccc(C(=O)O)n1.
What is the InChIKey of 6-(3-fluoro-N-methylanilino)pyridine-2-carboxylic acid?
The InChIKey is KZQVMIKONVPHQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN2O2/c1-16(10-5-2-4-9(14)8-10)12-7-3-6-11(15-12)13(17)18/h2-8H,1H3,(H,17,18).
What are the key properties of 6-(3-fluoro-N-methylanilino)pyridine-2-carboxylic acid?
6-(3-fluoro-N-methylanilino)pyridine-2-carboxylic acid has a molecular weight of 246.24 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-fluoro-N-methylanilino)pyridine-2-carboxylic acid is sourced from PubChem (CID 55053325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).