5-(chloromethyl)-1-(2-ethylphenyl)-2-methylpyridin-4-one

C15H16ClNO — CID 82419859

IUPAC5-(chloromethyl)-1-(2-ethylphenyl)-2-methylpyridin-4-one
SMILESCCc1ccccc1-n1cc(CCl)c(=O)cc1C
InChIInChI=1S/C15H16ClNO/c1-3-12-6-4-5-7-14(12)17-10-13(9-16)15(18)8-11(17)2/h4-8,10H,3,9H2,1-2H3
InChIKeyZSGFAYYVWUMIEP-UHFFFAOYSA-N
MW261.75 g/mol
LogP3.45
Rot. Bonds3

About 5-(chloromethyl)-1-(2-ethylphenyl)-2-methylpyridin-4-one

5-(chloromethyl)-1-(2-ethylphenyl)-2-methylpyridin-4-one (PubChem CID 82419859) has the molecular formula C15H16ClNO and a molecular weight of 261.75 g/mol. Its IUPAC name is 5-(chloromethyl)-1-(2-ethylphenyl)-2-methylpyridin-4-one.

Molecular Properties

Compound Name5-(chloromethyl)-1-(2-ethylphenyl)-2-methylpyridin-4-one
PubChem CID82419859
Molecular FormulaC15H16ClNO
Molecular Weight261.75 g/mol
Exact Mass261.09
IUPAC Name5-(chloromethyl)-1-(2-ethylphenyl)-2-methylpyridin-4-one
SMILESCCc1ccccc1-n1cc(CCl)c(=O)cc1C
InChIInChI=1S/C15H16ClNO/c1-3-12-6-4-5-7-14(12)17-10-13(9-16)15(18)8-11(17)2/h4-8,10H,3,9H2,1-2H3
InChIKeyZSGFAYYVWUMIEP-UHFFFAOYSA-N
XLogP3.45
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.75
LogP ≤ 53.45
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

5-(2-aminopropan-2-yl)-1-(2-ethylphenyl)-2-methylpyridin-4-one
CID 82419866
1-(2-ethylphenyl)-5-(2-hydroxypropan-2-yl)-2-methylpyridin-4-one
CID 82419865
1-(2-ethylphenyl)-6-methyl-4-oxopyridine-3-carbothioamide
CID 82419857
5-(chloromethyl)-1-(2,6-difluorophenyl)-2-methylpyridin-4-one
CID 82420804
5-(chloromethyl)-1-(4-fluorophenyl)-2-methylpyridin-4-one
CID 82421856
5-(chloromethyl)-1-(3-chloro-4-methylphenyl)-2-methylpyridin-4-one
CID 82419425
2-(6-methyl-4-oxo-1-phenyl-3-pyridinyl)acetic acid
CID 82419755
1-(chloromethyl)-2-ethylbenzene
CID 524243
5-(ethylaminomethyl)-2-methyl-1-phenylpyridin-4-one
CID 82419741
5-amino-1-(2-chlorophenyl)-2-methylpyridin-4-one
CID 82467411
5-[(cyclopropylamino)methyl]-1-(2,3-dimethylphenyl)-2-methylpyridin-4-one
CID 82419934
2-methyl-5-(methylaminomethyl)-1-phenylpyridin-4-one
CID 82419740

Frequently Asked Questions

What is the IUPAC name of 5-(chloromethyl)-1-(2-ethylphenyl)-2-methylpyridin-4-one?
The IUPAC name of 5-(chloromethyl)-1-(2-ethylphenyl)-2-methylpyridin-4-one (CID 82419859) is 5-(chloromethyl)-1-(2-ethylphenyl)-2-methylpyridin-4-one.
What is the SMILES notation for 5-(chloromethyl)-1-(2-ethylphenyl)-2-methylpyridin-4-one?
The canonical SMILES for 5-(chloromethyl)-1-(2-ethylphenyl)-2-methylpyridin-4-one is CCc1ccccc1-n1cc(CCl)c(=O)cc1C.
What is the InChIKey of 5-(chloromethyl)-1-(2-ethylphenyl)-2-methylpyridin-4-one?
The InChIKey is ZSGFAYYVWUMIEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO/c1-3-12-6-4-5-7-14(12)17-10-13(9-16)15(18)8-11(17)2/h4-8,10H,3,9H2,1-2H3.
What are the key properties of 5-(chloromethyl)-1-(2-ethylphenyl)-2-methylpyridin-4-one?
5-(chloromethyl)-1-(2-ethylphenyl)-2-methylpyridin-4-one has a molecular weight of 261.75 g/mol, XLogP of 3.45, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-1-(2-ethylphenyl)-2-methylpyridin-4-one is sourced from PubChem (CID 82419859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).