3-(chloromethyl)-6-(difluoromethyl)-4-methyl-1H-pyridin-2-one

C8H8ClF2NO — CID 130083780

IUPAC3-(chloromethyl)-6-(difluoromethyl)-4-methyl-1H-pyridin-2-one
SMILESCc1cc(C(F)F)[nH]c(=O)c1CCl
InChIInChI=1S/C8H8ClF2NO/c1-4-2-6(7(10)11)12-8(13)5(4)3-9/h2,7H,3H2,1H3,(H,12,13)
InChIKeyQEIVGMGDFYUHII-UHFFFAOYSA-N
MW207.61 g/mol
LogP2.36
Rot. Bonds2

About 3-(chloromethyl)-6-(difluoromethyl)-4-methyl-1H-pyridin-2-one

3-(chloromethyl)-6-(difluoromethyl)-4-methyl-1H-pyridin-2-one (PubChem CID 130083780) has the molecular formula C8H8ClF2NO and a molecular weight of 207.61 g/mol. Its IUPAC name is 3-(chloromethyl)-6-(difluoromethyl)-4-methyl-1H-pyridin-2-one.

Molecular Properties

Compound Name3-(chloromethyl)-6-(difluoromethyl)-4-methyl-1H-pyridin-2-one
PubChem CID130083780
Molecular FormulaC8H8ClF2NO
Molecular Weight207.61 g/mol
Exact Mass207.03
IUPAC Name3-(chloromethyl)-6-(difluoromethyl)-4-methyl-1H-pyridin-2-one
SMILESCc1cc(C(F)F)[nH]c(=O)c1CCl
InChIInChI=1S/C8H8ClF2NO/c1-4-2-6(7(10)11)12-8(13)5(4)3-9/h2,7H,3H2,1H3,(H,12,13)
InChIKeyQEIVGMGDFYUHII-UHFFFAOYSA-N
XLogP2.36
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.61
LogP ≤ 52.36
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-(chloromethyl)-6-(difluoromethyl)-3-methyl-1H-pyridin-2-one
CID 130083768
3-(chloromethyl)-4,6-dimethyl-1H-pyridin-2-one
CID 82526324
3-bromo-6-(difluoromethyl)-4-methyl-1H-pyridin-2-one
CID 130110117
6-(difluoromethyl)-4-methyl-2-oxo-1H-pyridine-3-sulfonamide
CID 130084130
5-(chloromethyl)-4-(difluoromethyl)-6-oxo-1H-pyridine-2-carbonitrile
CID 130076692
2-(chloromethyl)-6-(difluoromethyl)-3-iodo-1H-pyridin-4-one
CID 118826908
methyl 4-(chloromethyl)-6-(difluoromethyl)-2-oxo-1H-pyridine-3-carboxylate
CID 130085314
4-(difluoromethyl)-3-(hydroxymethyl)-6-methyl-1H-pyridin-2-one
CID 118812463
1-[5-(difluoromethyl)-3-methyl-1H-pyrrol-2-yl]ethanone
CID 84654571
ethyl 3-chloro-6-(difluoromethyl)-2-oxo-1H-pyridine-4-carboxylate
CID 134674785
methyl 2-[4-(bromomethyl)-6-(difluoromethyl)-2-oxo-1H-pyridin-3-yl]acetate
CID 133102630
methyl 2-[6-(difluoromethyl)-2-oxo-4-(trifluoromethyl)-1H-pyridin-3-yl]acetate
CID 133102419

Frequently Asked Questions

What is the IUPAC name of 3-(chloromethyl)-6-(difluoromethyl)-4-methyl-1H-pyridin-2-one?
The IUPAC name of 3-(chloromethyl)-6-(difluoromethyl)-4-methyl-1H-pyridin-2-one (CID 130083780) is 3-(chloromethyl)-6-(difluoromethyl)-4-methyl-1H-pyridin-2-one.
What is the SMILES notation for 3-(chloromethyl)-6-(difluoromethyl)-4-methyl-1H-pyridin-2-one?
The canonical SMILES for 3-(chloromethyl)-6-(difluoromethyl)-4-methyl-1H-pyridin-2-one is Cc1cc(C(F)F)[nH]c(=O)c1CCl.
What is the InChIKey of 3-(chloromethyl)-6-(difluoromethyl)-4-methyl-1H-pyridin-2-one?
The InChIKey is QEIVGMGDFYUHII-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClF2NO/c1-4-2-6(7(10)11)12-8(13)5(4)3-9/h2,7H,3H2,1H3,(H,12,13).
What are the key properties of 3-(chloromethyl)-6-(difluoromethyl)-4-methyl-1H-pyridin-2-one?
3-(chloromethyl)-6-(difluoromethyl)-4-methyl-1H-pyridin-2-one has a molecular weight of 207.61 g/mol, XLogP of 2.36, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(chloromethyl)-6-(difluoromethyl)-4-methyl-1H-pyridin-2-one is sourced from PubChem (CID 130083780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).