2-(chloromethyl)-5-(difluoromethyl)-3-fluoro-1H-pyridin-4-one

C7H5ClF3NO — CID 130079469

IUPAC2-(chloromethyl)-5-(difluoromethyl)-3-fluoro-1H-pyridin-4-one
SMILESO=c1c(C(F)F)c[nH]c(CCl)c1F
InChIInChI=1S/C7H5ClF3NO/c8-1-4-5(9)6(13)3(2-12-4)7(10)11/h2,7H,1H2,(H,12,13)
InChIKeyQWEAXCBKGXJGAV-UHFFFAOYSA-N
MW211.57 g/mol
LogP2.19
Rot. Bonds2

About 2-(chloromethyl)-5-(difluoromethyl)-3-fluoro-1H-pyridin-4-one

2-(chloromethyl)-5-(difluoromethyl)-3-fluoro-1H-pyridin-4-one (PubChem CID 130079469) has the molecular formula C7H5ClF3NO and a molecular weight of 211.57 g/mol. Its IUPAC name is 2-(chloromethyl)-5-(difluoromethyl)-3-fluoro-1H-pyridin-4-one.

Molecular Properties

Compound Name2-(chloromethyl)-5-(difluoromethyl)-3-fluoro-1H-pyridin-4-one
PubChem CID130079469
Molecular FormulaC7H5ClF3NO
Molecular Weight211.57 g/mol
Exact Mass211.00
IUPAC Name2-(chloromethyl)-5-(difluoromethyl)-3-fluoro-1H-pyridin-4-one
SMILESO=c1c(C(F)F)c[nH]c(CCl)c1F
InChIInChI=1S/C7H5ClF3NO/c8-1-4-5(9)6(13)3(2-12-4)7(10)11/h2,7H,1H2,(H,12,13)
InChIKeyQWEAXCBKGXJGAV-UHFFFAOYSA-N
XLogP2.19
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.57
LogP ≤ 52.19
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

2-(aminomethyl)-5-(difluoromethyl)-3-fluoro-1H-pyridin-4-one
CID 118853919
3-amino-2-(chloromethyl)-5-(difluoromethyl)-1H-pyridin-4-one
CID 130104725
2-(chloromethyl)-5-(difluoromethyl)-4-oxo-1H-pyridine-3-carbonitrile
CID 118809846
3-(chloromethyl)-5-(difluoromethyl)-2-(hydroxymethyl)-1H-pyridin-4-one
CID 130085159
methyl 2-(chloromethyl)-5-(difluoromethyl)-4-oxo-1H-pyridine-3-carboxylate
CID 130085281
5-(difluoromethyl)-3-fluoro-2-nitro-1H-pyridin-4-one
CID 130079355
2-(chloromethyl)-3-(difluoromethyl)-5-(trifluoromethyl)-1H-pyridin-4-one
CID 130085038
2-[5-(difluoromethyl)-3-hydroxy-4-oxo-1H-pyridin-2-yl]acetic acid
CID 130100311
3-amino-5-(difluoromethyl)-2-fluoro-1H-pyridin-4-one
CID 130103833
2-[5-(difluoromethyl)-3-methyl-4-oxo-1H-pyridin-2-yl]acetonitrile
CID 130083845
2-(cyanomethyl)-5-(difluoromethyl)-4-oxo-1H-pyridine-3-carbonitrile
CID 130076765
2-[3-amino-5-(difluoromethyl)-4-oxo-1H-pyridin-2-yl]acetic acid
CID 133093442

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-5-(difluoromethyl)-3-fluoro-1H-pyridin-4-one?
The IUPAC name of 2-(chloromethyl)-5-(difluoromethyl)-3-fluoro-1H-pyridin-4-one (CID 130079469) is 2-(chloromethyl)-5-(difluoromethyl)-3-fluoro-1H-pyridin-4-one.
What is the SMILES notation for 2-(chloromethyl)-5-(difluoromethyl)-3-fluoro-1H-pyridin-4-one?
The canonical SMILES for 2-(chloromethyl)-5-(difluoromethyl)-3-fluoro-1H-pyridin-4-one is O=c1c(C(F)F)c[nH]c(CCl)c1F.
What is the InChIKey of 2-(chloromethyl)-5-(difluoromethyl)-3-fluoro-1H-pyridin-4-one?
The InChIKey is QWEAXCBKGXJGAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClF3NO/c8-1-4-5(9)6(13)3(2-12-4)7(10)11/h2,7H,1H2,(H,12,13).
What are the key properties of 2-(chloromethyl)-5-(difluoromethyl)-3-fluoro-1H-pyridin-4-one?
2-(chloromethyl)-5-(difluoromethyl)-3-fluoro-1H-pyridin-4-one has a molecular weight of 211.57 g/mol, XLogP of 2.19, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-5-(difluoromethyl)-3-fluoro-1H-pyridin-4-one is sourced from PubChem (CID 130079469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).