4-(5-amino-4-fluoro-2-methylphenyl)-6-chloro-1-methylpyridin-2-one

C13H12ClFN2O — CID 168930193

IUPAC4-(5-amino-4-fluoro-2-methylphenyl)-6-chloro-1-methylpyridin-2-one
SMILESCc1cc(F)c(N)cc1-c1cc(Cl)n(C)c(=O)c1
InChIInChI=1S/C13H12ClFN2O/c1-7-3-10(15)11(16)6-9(7)8-4-12(14)17(2)13(18)5-8/h3-6H,16H2,1-2H3
InChIKeyKLHJVLGRYHAPHR-UHFFFAOYSA-N
MW266.70 g/mol
LogP2.74
Rot. Bonds1

About 4-(5-amino-4-fluoro-2-methylphenyl)-6-chloro-1-methylpyridin-2-one

4-(5-amino-4-fluoro-2-methylphenyl)-6-chloro-1-methylpyridin-2-one (PubChem CID 168930193) has the molecular formula C13H12ClFN2O and a molecular weight of 266.70 g/mol. Its IUPAC name is 4-(5-amino-4-fluoro-2-methylphenyl)-6-chloro-1-methylpyridin-2-one.

Molecular Properties

Compound Name4-(5-amino-4-fluoro-2-methylphenyl)-6-chloro-1-methylpyridin-2-one
PubChem CID168930193
Molecular FormulaC13H12ClFN2O
Molecular Weight266.70 g/mol
Exact Mass266.06
IUPAC Name4-(5-amino-4-fluoro-2-methylphenyl)-6-chloro-1-methylpyridin-2-one
SMILESCc1cc(F)c(N)cc1-c1cc(Cl)n(C)c(=O)c1
InChIInChI=1S/C13H12ClFN2O/c1-7-3-10(15)11(16)6-9(7)8-4-12(14)17(2)13(18)5-8/h3-6H,16H2,1-2H3
InChIKeyKLHJVLGRYHAPHR-UHFFFAOYSA-N
XLogP2.74
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.70
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-(3-chlorophenyl)-2-fluoro-4-methylaniline
CID 168928680
2-amino-6-(5-amino-4-fluoro-2-methylphenyl)-8-methylpyrido[2,3-d]pyrimidin-7-one
CID 69296204
3-(5-amino-4-fluoro-2-methylphenyl)-1-methyl-7-phenyl-1,6-naphthyridin-2-one
CID 69296236
4-fluoro-6-methylbenzene-1,3-diamine;hydrate
CID 141142247
2-fluoro-5-methyl-4-methylsulfonylaniline
CID 141321054
2-chloro-1-methyl-6-oxopyridine-4-sulfonyl chloride
CID 172614380
4-amino-6-(4-chlorophenyl)-1-methylpyridin-2-one
CID 105495523
5-amino-4-fluoro-2-methylphenol
CID 10154098
4-fluoro-6-methylbenzene-1,3-diamine;sulfuric acid;hydrate
CID 22610610
4-(4-chlorophenyl)-2,5-dimethylaniline
CID 23381822
2-[[4-(5-amino-4-fluoro-2-methylphenyl)-6-pyridin-4-yl-2-pyridinyl]oxy]ethanol
CID 168928786
2-fluoro-4-(6-fluoro-3-pyridinyl)-5-methylaniline
CID 172564495

Frequently Asked Questions

What is the IUPAC name of 4-(5-amino-4-fluoro-2-methylphenyl)-6-chloro-1-methylpyridin-2-one?
The IUPAC name of 4-(5-amino-4-fluoro-2-methylphenyl)-6-chloro-1-methylpyridin-2-one (CID 168930193) is 4-(5-amino-4-fluoro-2-methylphenyl)-6-chloro-1-methylpyridin-2-one.
What is the SMILES notation for 4-(5-amino-4-fluoro-2-methylphenyl)-6-chloro-1-methylpyridin-2-one?
The canonical SMILES for 4-(5-amino-4-fluoro-2-methylphenyl)-6-chloro-1-methylpyridin-2-one is Cc1cc(F)c(N)cc1-c1cc(Cl)n(C)c(=O)c1.
What is the InChIKey of 4-(5-amino-4-fluoro-2-methylphenyl)-6-chloro-1-methylpyridin-2-one?
The InChIKey is KLHJVLGRYHAPHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClFN2O/c1-7-3-10(15)11(16)6-9(7)8-4-12(14)17(2)13(18)5-8/h3-6H,16H2,1-2H3.
What are the key properties of 4-(5-amino-4-fluoro-2-methylphenyl)-6-chloro-1-methylpyridin-2-one?
4-(5-amino-4-fluoro-2-methylphenyl)-6-chloro-1-methylpyridin-2-one has a molecular weight of 266.70 g/mol, XLogP of 2.74, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-amino-4-fluoro-2-methylphenyl)-6-chloro-1-methylpyridin-2-one is sourced from PubChem (CID 168930193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).