5-amino-4-(4-bromo-2-fluoroanilino)-1-methylpyridin-2-one

C12H11BrFN3O — CID 58259896

IUPAC5-amino-4-(4-bromo-2-fluoroanilino)-1-methylpyridin-2-one
SMILESCn1cc(N)c(Nc2ccc(Br)cc2F)cc1=O
InChIInChI=1S/C12H11BrFN3O/c1-17-6-9(15)11(5-12(17)18)16-10-3-2-7(13)4-8(10)14/h2-6,16H,15H2,1H3
InChIKeyNHFGXTZQZDCGCZ-UHFFFAOYSA-N
MW312.14 g/mol
LogP2.61
Rot. Bonds2

About 5-amino-4-(4-bromo-2-fluoroanilino)-1-methylpyridin-2-one

5-amino-4-(4-bromo-2-fluoroanilino)-1-methylpyridin-2-one (PubChem CID 58259896) has the molecular formula C12H11BrFN3O and a molecular weight of 312.14 g/mol. Its IUPAC name is 5-amino-4-(4-bromo-2-fluoroanilino)-1-methylpyridin-2-one.

Molecular Properties

Compound Name5-amino-4-(4-bromo-2-fluoroanilino)-1-methylpyridin-2-one
PubChem CID58259896
Molecular FormulaC12H11BrFN3O
Molecular Weight312.14 g/mol
Exact Mass311.01
IUPAC Name5-amino-4-(4-bromo-2-fluoroanilino)-1-methylpyridin-2-one
SMILESCn1cc(N)c(Nc2ccc(Br)cc2F)cc1=O
InChIInChI=1S/C12H11BrFN3O/c1-17-6-9(15)11(5-12(17)18)16-10-3-2-7(13)4-8(10)14/h2-6,16H,15H2,1H3
InChIKeyNHFGXTZQZDCGCZ-UHFFFAOYSA-N
XLogP2.61
TPSA60.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.14
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-amino-4-(4-bromo-2-fluoroanilino)-1-methylpyridin-2-one?
The IUPAC name of 5-amino-4-(4-bromo-2-fluoroanilino)-1-methylpyridin-2-one (CID 58259896) is 5-amino-4-(4-bromo-2-fluoroanilino)-1-methylpyridin-2-one.
What is the SMILES notation for 5-amino-4-(4-bromo-2-fluoroanilino)-1-methylpyridin-2-one?
The canonical SMILES for 5-amino-4-(4-bromo-2-fluoroanilino)-1-methylpyridin-2-one is Cn1cc(N)c(Nc2ccc(Br)cc2F)cc1=O.
What is the InChIKey of 5-amino-4-(4-bromo-2-fluoroanilino)-1-methylpyridin-2-one?
The InChIKey is NHFGXTZQZDCGCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrFN3O/c1-17-6-9(15)11(5-12(17)18)16-10-3-2-7(13)4-8(10)14/h2-6,16H,15H2,1H3.
What are the key properties of 5-amino-4-(4-bromo-2-fluoroanilino)-1-methylpyridin-2-one?
5-amino-4-(4-bromo-2-fluoroanilino)-1-methylpyridin-2-one has a molecular weight of 312.14 g/mol, XLogP of 2.61, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-(4-bromo-2-fluoroanilino)-1-methylpyridin-2-one is sourced from PubChem (CID 58259896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).