5-[(5-chloro-2-fluorophenyl)methylamino]-1-methylpyridin-2-one

C13H12ClFN2O — CID 114842121

IUPAC5-[(5-chloro-2-fluorophenyl)methylamino]-1-methylpyridin-2-one
SMILESCn1cc(NCc2cc(Cl)ccc2F)ccc1=O
InChIInChI=1S/C13H12ClFN2O/c1-17-8-11(3-5-13(17)18)16-7-9-6-10(14)2-4-12(9)15/h2-6,8,16H,7H2,1H3
InChIKeyKQKHBLBVKYFACA-UHFFFAOYSA-N
MW266.70 g/mol
LogP2.79
Rot. Bonds3

About 5-[(5-chloro-2-fluorophenyl)methylamino]-1-methylpyridin-2-one

5-[(5-chloro-2-fluorophenyl)methylamino]-1-methylpyridin-2-one (PubChem CID 114842121) has the molecular formula C13H12ClFN2O and a molecular weight of 266.70 g/mol. Its IUPAC name is 5-[(5-chloro-2-fluorophenyl)methylamino]-1-methylpyridin-2-one.

Molecular Properties

Compound Name5-[(5-chloro-2-fluorophenyl)methylamino]-1-methylpyridin-2-one
PubChem CID114842121
Molecular FormulaC13H12ClFN2O
Molecular Weight266.70 g/mol
Exact Mass266.06
IUPAC Name5-[(5-chloro-2-fluorophenyl)methylamino]-1-methylpyridin-2-one
SMILESCn1cc(NCc2cc(Cl)ccc2F)ccc1=O
InChIInChI=1S/C13H12ClFN2O/c1-17-8-11(3-5-13(17)18)16-7-9-6-10(14)2-4-12(9)15/h2-6,8,16H,7H2,1H3
InChIKeyKQKHBLBVKYFACA-UHFFFAOYSA-N
XLogP2.79
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.70
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(3-fluoro-2-hydroxyphenyl)methylamino]-1-methylpyridin-2-one
CID 112606610
3,5-difluoro-4-[[(1-methyl-6-oxo-3-pyridinyl)amino]methyl]benzonitrile
CID 107038073
5-[(1,3-dimethylpyrazol-4-yl)methylamino]-1-methylpyridin-2-one
CID 83088804
5-[(5-chlorothiophen-2-yl)methylamino]-1-methylpyridin-2-one
CID 60930792
N-[(5-chloro-2-fluorophenyl)methyl]-4-ethoxyaniline
CID 114841290
1-methyl-5-[(3-methylimidazol-4-yl)methylamino]pyridin-2-one
CID 66116442
1-methyl-5-[(5-methyl-1H-pyrazol-4-yl)methylamino]pyridin-2-one
CID 60932541
4-chloro-N-[(2-fluoro-5-methylphenyl)methyl]aniline
CID 114053753
5-[(4-hydroxyphenyl)methylamino]-1-methylpyridin-2-one
CID 54866090
N-[(5-chloro-2-fluorophenyl)methyl]-4-pyrrolidin-1-ylaniline
CID 115761922
5-[(4,5-dibromothiophen-2-yl)methylamino]-1-methylpyridin-2-one
CID 102834614
5-[(4-bromothiophen-2-yl)methylamino]-1-methylpyridin-2-one
CID 60932450

Frequently Asked Questions

What is the IUPAC name of 5-[(5-chloro-2-fluorophenyl)methylamino]-1-methylpyridin-2-one?
The IUPAC name of 5-[(5-chloro-2-fluorophenyl)methylamino]-1-methylpyridin-2-one (CID 114842121) is 5-[(5-chloro-2-fluorophenyl)methylamino]-1-methylpyridin-2-one.
What is the SMILES notation for 5-[(5-chloro-2-fluorophenyl)methylamino]-1-methylpyridin-2-one?
The canonical SMILES for 5-[(5-chloro-2-fluorophenyl)methylamino]-1-methylpyridin-2-one is Cn1cc(NCc2cc(Cl)ccc2F)ccc1=O.
What is the InChIKey of 5-[(5-chloro-2-fluorophenyl)methylamino]-1-methylpyridin-2-one?
The InChIKey is KQKHBLBVKYFACA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClFN2O/c1-17-8-11(3-5-13(17)18)16-7-9-6-10(14)2-4-12(9)15/h2-6,8,16H,7H2,1H3.
What are the key properties of 5-[(5-chloro-2-fluorophenyl)methylamino]-1-methylpyridin-2-one?
5-[(5-chloro-2-fluorophenyl)methylamino]-1-methylpyridin-2-one has a molecular weight of 266.70 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-chloro-2-fluorophenyl)methylamino]-1-methylpyridin-2-one is sourced from PubChem (CID 114842121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).