5-(chloromethyl)-1-(2,6-difluorophenyl)-2-methylpyridin-4-one

C13H10ClF2NO — CID 82420804

IUPAC5-(chloromethyl)-1-(2,6-difluorophenyl)-2-methylpyridin-4-one
SMILESCc1cc(=O)c(CCl)cn1-c1c(F)cccc1F
InChIInChI=1S/C13H10ClF2NO/c1-8-5-12(18)9(6-14)7-17(8)13-10(15)3-2-4-11(13)16/h2-5,7H,6H2,1H3
InChIKeyTVNQOJMPCUFRSU-UHFFFAOYSA-N
MW269.68 g/mol
LogP3.16
Rot. Bonds2

About 5-(chloromethyl)-1-(2,6-difluorophenyl)-2-methylpyridin-4-one

5-(chloromethyl)-1-(2,6-difluorophenyl)-2-methylpyridin-4-one (PubChem CID 82420804) has the molecular formula C13H10ClF2NO and a molecular weight of 269.68 g/mol. Its IUPAC name is 5-(chloromethyl)-1-(2,6-difluorophenyl)-2-methylpyridin-4-one.

Molecular Properties

Compound Name5-(chloromethyl)-1-(2,6-difluorophenyl)-2-methylpyridin-4-one
PubChem CID82420804
Molecular FormulaC13H10ClF2NO
Molecular Weight269.68 g/mol
Exact Mass269.04
IUPAC Name5-(chloromethyl)-1-(2,6-difluorophenyl)-2-methylpyridin-4-one
SMILESCc1cc(=O)c(CCl)cn1-c1c(F)cccc1F
InChIInChI=1S/C13H10ClF2NO/c1-8-5-12(18)9(6-14)7-17(8)13-10(15)3-2-4-11(13)16/h2-5,7H,6H2,1H3
InChIKeyTVNQOJMPCUFRSU-UHFFFAOYSA-N
XLogP3.16
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.68
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-(2,6-difluorophenyl)-5-(hydroxymethyl)-2-methylpyridin-4-one
CID 82420790
5-(chloromethyl)-1-(4-fluorophenyl)-2-methylpyridin-4-one
CID 82421856
1-(2,6-difluorophenyl)-6-methyl-4-oxopyridine-3-carbonyl chloride
CID 82420815
5-(chloromethyl)-1-(2-ethylphenyl)-2-methylpyridin-4-one
CID 82419859
1-(2,6-difluorophenyl)-6-methyl-4-oxopyridine-3-carbohydrazide
CID 82420817
5-(chloromethyl)-1-(3-chloro-4-methylphenyl)-2-methylpyridin-4-one
CID 82419425
1-(3-chloro-4-fluorophenyl)-5-(hydroxymethyl)-2-methylpyridin-4-one
CID 82420457
1-(3,4-difluorophenyl)-5-(hydroxymethyl)-2-methylpyridin-4-one
CID 82420920
5-(hydroxymethyl)-2-methyl-1-(2,3,4-trifluorophenyl)pyridin-4-one
CID 82420858
1-(chloromethyl)-3-fluoro-2-methylbenzene
CID 53403085
2-(6-methyl-4-oxo-1-phenyl-3-pyridinyl)acetic acid
CID 82419755
3-[1-(3-chloro-4-fluorophenyl)-6-methyl-4-oxo-3-pyridinyl]propanoic acid
CID 82420476

Frequently Asked Questions

What is the IUPAC name of 5-(chloromethyl)-1-(2,6-difluorophenyl)-2-methylpyridin-4-one?
The IUPAC name of 5-(chloromethyl)-1-(2,6-difluorophenyl)-2-methylpyridin-4-one (CID 82420804) is 5-(chloromethyl)-1-(2,6-difluorophenyl)-2-methylpyridin-4-one.
What is the SMILES notation for 5-(chloromethyl)-1-(2,6-difluorophenyl)-2-methylpyridin-4-one?
The canonical SMILES for 5-(chloromethyl)-1-(2,6-difluorophenyl)-2-methylpyridin-4-one is Cc1cc(=O)c(CCl)cn1-c1c(F)cccc1F.
What is the InChIKey of 5-(chloromethyl)-1-(2,6-difluorophenyl)-2-methylpyridin-4-one?
The InChIKey is TVNQOJMPCUFRSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClF2NO/c1-8-5-12(18)9(6-14)7-17(8)13-10(15)3-2-4-11(13)16/h2-5,7H,6H2,1H3.
What are the key properties of 5-(chloromethyl)-1-(2,6-difluorophenyl)-2-methylpyridin-4-one?
5-(chloromethyl)-1-(2,6-difluorophenyl)-2-methylpyridin-4-one has a molecular weight of 269.68 g/mol, XLogP of 3.16, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-1-(2,6-difluorophenyl)-2-methylpyridin-4-one is sourced from PubChem (CID 82420804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).