5-(chloromethyl)-4-methyl-1H-pyridin-2-one

C7H8ClNO — CID 102545705

IUPAC5-(chloromethyl)-4-methyl-1H-pyridin-2-one
SMILESCc1cc(=O)[nH]cc1CCl
InChIInChI=1S/C7H8ClNO/c1-5-2-7(10)9-4-6(5)3-8/h2,4H,3H2,1H3,(H,9,10)
InChIKeyPTPXEFQHGAQRPX-UHFFFAOYSA-N
MW157.60 g/mol
LogP1.42
Rot. Bonds1

About 5-(chloromethyl)-4-methyl-1H-pyridin-2-one

5-(chloromethyl)-4-methyl-1H-pyridin-2-one (PubChem CID 102545705) has the molecular formula C7H8ClNO and a molecular weight of 157.60 g/mol. Its IUPAC name is 5-(chloromethyl)-4-methyl-1H-pyridin-2-one.

Molecular Properties

Compound Name5-(chloromethyl)-4-methyl-1H-pyridin-2-one
PubChem CID102545705
Molecular FormulaC7H8ClNO
Molecular Weight157.60 g/mol
Exact Mass157.03
IUPAC Name5-(chloromethyl)-4-methyl-1H-pyridin-2-one
SMILESCc1cc(=O)[nH]cc1CCl
InChIInChI=1S/C7H8ClNO/c1-5-2-7(10)9-4-6(5)3-8/h2,4H,3H2,1H3,(H,9,10)
InChIKeyPTPXEFQHGAQRPX-UHFFFAOYSA-N
XLogP1.42
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.60
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-5-(methylaminomethyl)-1H-pyridin-2-one
CID 102545713
5-chloro-4-methyl-1H-pyridin-2-one
CID 46739797
4-(chloromethyl)-5-fluoro-1H-pyridin-2-one
CID 118990056
4,5-dimethyl-1H-pyridin-2-one;molecular hydrogen
CID 145360200
ethyl 3-(4-methyl-6-oxo-1H-pyridin-3-yl)propanoate
CID 58753933
5-(3,5-dichlorophenyl)-4-methyl-1H-pyridin-2-one
CID 133092874
5-ethyl-4-propyl-1H-pyridin-2-one
CID 176702886
2-bromo-5-(chloromethyl)-1H-pyridin-4-one
CID 131118774
3-(4-methyl-6-oxo-1H-pyridin-3-yl)prop-2-enenitrile
CID 169483269
5-[(2R)-2-amino-1-hydroxypropan-2-yl]-4-methyl-1H-pyridin-2-one
CID 130855583
4-methyl-5-[2-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]-2-oxoethyl]-1H-pyridin-2-one
CID 167603251
5-bromo-4-ethoxy-1H-pyridin-2-one
CID 119093951

Frequently Asked Questions

What is the IUPAC name of 5-(chloromethyl)-4-methyl-1H-pyridin-2-one?
The IUPAC name of 5-(chloromethyl)-4-methyl-1H-pyridin-2-one (CID 102545705) is 5-(chloromethyl)-4-methyl-1H-pyridin-2-one.
What is the SMILES notation for 5-(chloromethyl)-4-methyl-1H-pyridin-2-one?
The canonical SMILES for 5-(chloromethyl)-4-methyl-1H-pyridin-2-one is Cc1cc(=O)[nH]cc1CCl.
What is the InChIKey of 5-(chloromethyl)-4-methyl-1H-pyridin-2-one?
The InChIKey is PTPXEFQHGAQRPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClNO/c1-5-2-7(10)9-4-6(5)3-8/h2,4H,3H2,1H3,(H,9,10).
What are the key properties of 5-(chloromethyl)-4-methyl-1H-pyridin-2-one?
5-(chloromethyl)-4-methyl-1H-pyridin-2-one has a molecular weight of 157.60 g/mol, XLogP of 1.42, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-4-methyl-1H-pyridin-2-one is sourced from PubChem (CID 102545705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).