4-(4-bromo-2-fluoroanilino)-1-methyl-6-oxopyridine-3-carboxamide

C13H11BrFN3O2 — CID 11439219

IUPAC4-(4-bromo-2-fluoroanilino)-1-methyl-6-oxopyridine-3-carboxamide
SMILESCn1cc(C(N)=O)c(Nc2ccc(Br)cc2F)cc1=O
InChIInChI=1S/C13H11BrFN3O2/c1-18-6-8(13(16)20)11(5-12(18)19)17-10-3-2-7(14)4-9(10)15/h2-6,17H,1H3,(H2,16,20)
InChIKeyLRYALXABQZRRNT-UHFFFAOYSA-N
MW340.15 g/mol
LogP2.13
Rot. Bonds3

About 4-(4-bromo-2-fluoroanilino)-1-methyl-6-oxopyridine-3-carboxamide

4-(4-bromo-2-fluoroanilino)-1-methyl-6-oxopyridine-3-carboxamide (PubChem CID 11439219) has the molecular formula C13H11BrFN3O2 and a molecular weight of 340.15 g/mol. Its IUPAC name is 4-(4-bromo-2-fluoroanilino)-1-methyl-6-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name4-(4-bromo-2-fluoroanilino)-1-methyl-6-oxopyridine-3-carboxamide
PubChem CID11439219
Molecular FormulaC13H11BrFN3O2
Molecular Weight340.15 g/mol
Exact Mass339.00
IUPAC Name4-(4-bromo-2-fluoroanilino)-1-methyl-6-oxopyridine-3-carboxamide
SMILESCn1cc(C(N)=O)c(Nc2ccc(Br)cc2F)cc1=O
InChIInChI=1S/C13H11BrFN3O2/c1-18-6-8(13(16)20)11(5-12(18)19)17-10-3-2-7(14)4-9(10)15/h2-6,17H,1H3,(H2,16,20)
InChIKeyLRYALXABQZRRNT-UHFFFAOYSA-N
XLogP2.13
TPSA77.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.15
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-bromo-2-fluoroanilino)-1-methyl-6-oxopyridine-3-carboxamide?
The IUPAC name of 4-(4-bromo-2-fluoroanilino)-1-methyl-6-oxopyridine-3-carboxamide (CID 11439219) is 4-(4-bromo-2-fluoroanilino)-1-methyl-6-oxopyridine-3-carboxamide.
What is the SMILES notation for 4-(4-bromo-2-fluoroanilino)-1-methyl-6-oxopyridine-3-carboxamide?
The canonical SMILES for 4-(4-bromo-2-fluoroanilino)-1-methyl-6-oxopyridine-3-carboxamide is Cn1cc(C(N)=O)c(Nc2ccc(Br)cc2F)cc1=O.
What is the InChIKey of 4-(4-bromo-2-fluoroanilino)-1-methyl-6-oxopyridine-3-carboxamide?
The InChIKey is LRYALXABQZRRNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrFN3O2/c1-18-6-8(13(16)20)11(5-12(18)19)17-10-3-2-7(14)4-9(10)15/h2-6,17H,1H3,(H2,16,20).
What are the key properties of 4-(4-bromo-2-fluoroanilino)-1-methyl-6-oxopyridine-3-carboxamide?
4-(4-bromo-2-fluoroanilino)-1-methyl-6-oxopyridine-3-carboxamide has a molecular weight of 340.15 g/mol, XLogP of 2.13, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromo-2-fluoroanilino)-1-methyl-6-oxopyridine-3-carboxamide is sourced from PubChem (CID 11439219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).