1-(4-fluoroanilino)-6-methyl-4-oxopyridine-3-carboxylic acid

C13H11FN2O3 — CID 1490606

IUPAC1-(4-fluoroanilino)-6-methyl-4-oxopyridine-3-carboxylic acid
SMILESCc1cc(=O)c(C(=O)O)cn1Nc1ccc(F)cc1
InChIInChI=1S/C13H11FN2O3/c1-8-6-12(17)11(13(18)19)7-16(8)15-10-4-2-9(14)3-5-10/h2-7,15H,1H3,(H,18,19)
InChIKeyFRDXDNIJUZTSFA-UHFFFAOYSA-N
MW262.24 g/mol
LogP1.87
Rot. Bonds3

About 1-(4-fluoroanilino)-6-methyl-4-oxopyridine-3-carboxylic acid

1-(4-fluoroanilino)-6-methyl-4-oxopyridine-3-carboxylic acid (PubChem CID 1490606) has the molecular formula C13H11FN2O3 and a molecular weight of 262.24 g/mol. Its IUPAC name is 1-(4-fluoroanilino)-6-methyl-4-oxopyridine-3-carboxylic acid.

Molecular Properties

Compound Name1-(4-fluoroanilino)-6-methyl-4-oxopyridine-3-carboxylic acid
PubChem CID1490606
Molecular FormulaC13H11FN2O3
Molecular Weight262.24 g/mol
Exact Mass262.08
IUPAC Name1-(4-fluoroanilino)-6-methyl-4-oxopyridine-3-carboxylic acid
SMILESCc1cc(=O)c(C(=O)O)cn1Nc1ccc(F)cc1
InChIInChI=1S/C13H11FN2O3/c1-8-6-12(17)11(13(18)19)7-16(8)15-10-4-2-9(14)3-5-10/h2-7,15H,1H3,(H,18,19)
InChIKeyFRDXDNIJUZTSFA-UHFFFAOYSA-N
XLogP1.87
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.24
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoroanilino)-6-methyl-4-oxopyridine-3-carboxylic acid?
The IUPAC name of 1-(4-fluoroanilino)-6-methyl-4-oxopyridine-3-carboxylic acid (CID 1490606) is 1-(4-fluoroanilino)-6-methyl-4-oxopyridine-3-carboxylic acid.
What is the SMILES notation for 1-(4-fluoroanilino)-6-methyl-4-oxopyridine-3-carboxylic acid?
The canonical SMILES for 1-(4-fluoroanilino)-6-methyl-4-oxopyridine-3-carboxylic acid is Cc1cc(=O)c(C(=O)O)cn1Nc1ccc(F)cc1.
What is the InChIKey of 1-(4-fluoroanilino)-6-methyl-4-oxopyridine-3-carboxylic acid?
The InChIKey is FRDXDNIJUZTSFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN2O3/c1-8-6-12(17)11(13(18)19)7-16(8)15-10-4-2-9(14)3-5-10/h2-7,15H,1H3,(H,18,19).
What are the key properties of 1-(4-fluoroanilino)-6-methyl-4-oxopyridine-3-carboxylic acid?
1-(4-fluoroanilino)-6-methyl-4-oxopyridine-3-carboxylic acid has a molecular weight of 262.24 g/mol, XLogP of 1.87, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoroanilino)-6-methyl-4-oxopyridine-3-carboxylic acid is sourced from PubChem (CID 1490606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).