6-(chloromethyl)-2-(difluoromethyl)-4-oxo-1H-pyridine-3-carbonitrile

C8H5ClF2N2O — CID 130076657

IUPAC6-(chloromethyl)-2-(difluoromethyl)-4-oxo-1H-pyridine-3-carbonitrile
SMILESN#Cc1c(C(F)F)[nH]c(CCl)cc1=O
InChIInChI=1S/C8H5ClF2N2O/c9-2-4-1-6(14)5(3-12)7(13-4)8(10)11/h1,8H,2H2,(H,13,14)
InChIKeyFSWOGQFPZLYKJY-UHFFFAOYSA-N
MW218.59 g/mol
LogP1.92
Rot. Bonds2

About 6-(chloromethyl)-2-(difluoromethyl)-4-oxo-1H-pyridine-3-carbonitrile

6-(chloromethyl)-2-(difluoromethyl)-4-oxo-1H-pyridine-3-carbonitrile (PubChem CID 130076657) has the molecular formula C8H5ClF2N2O and a molecular weight of 218.59 g/mol. Its IUPAC name is 6-(chloromethyl)-2-(difluoromethyl)-4-oxo-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-(chloromethyl)-2-(difluoromethyl)-4-oxo-1H-pyridine-3-carbonitrile
PubChem CID130076657
Molecular FormulaC8H5ClF2N2O
Molecular Weight218.59 g/mol
Exact Mass218.01
IUPAC Name6-(chloromethyl)-2-(difluoromethyl)-4-oxo-1H-pyridine-3-carbonitrile
SMILESN#Cc1c(C(F)F)[nH]c(CCl)cc1=O
InChIInChI=1S/C8H5ClF2N2O/c9-2-4-1-6(14)5(3-12)7(13-4)8(10)11/h1,8H,2H2,(H,13,14)
InChIKeyFSWOGQFPZLYKJY-UHFFFAOYSA-N
XLogP1.92
TPSA56.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.59
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-(chloromethyl)-3-(difluoromethyl)-2-methyl-1H-pyridin-4-one
CID 130083739
2-(difluoromethyl)-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile
CID 130076708
6-(chloromethyl)-3-(difluoromethyl)-2-(hydroxymethyl)-1H-pyridin-4-one
CID 130085139
6-(bromomethyl)-3-(difluoromethyl)-4-oxo-1H-pyridine-2-carbonitrile
CID 130076614
2-(chloromethyl)-5-(difluoromethyl)-4-oxo-1H-pyridine-3-carbonitrile
CID 118809846
5-(chloromethyl)-4-(difluoromethyl)-6-oxo-1H-pyridine-2-carbonitrile
CID 130076692
5-chloro-2-(difluoromethyl)-6-oxo-1H-pyridine-3-carbonitrile
CID 130070948
5-bromo-6-(difluoromethyl)-4-oxo-1H-pyridine-2-carbonitrile
CID 130108622
6-(aminomethyl)-2-(difluoromethyl)-3-hydroxy-1H-pyridin-4-one
CID 130100144
2-[6-(difluoromethyl)-5-fluoro-4-oxo-1H-pyridin-2-yl]acetic acid
CID 118831564
6-(aminomethyl)-2-(difluoromethyl)-3-nitro-1H-pyridin-4-one
CID 130084199
2-[2-(chloromethyl)-3-cyano-6-(difluoromethyl)-4-pyridinyl]acetic acid
CID 118821254

Frequently Asked Questions

What is the IUPAC name of 6-(chloromethyl)-2-(difluoromethyl)-4-oxo-1H-pyridine-3-carbonitrile?
The IUPAC name of 6-(chloromethyl)-2-(difluoromethyl)-4-oxo-1H-pyridine-3-carbonitrile (CID 130076657) is 6-(chloromethyl)-2-(difluoromethyl)-4-oxo-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 6-(chloromethyl)-2-(difluoromethyl)-4-oxo-1H-pyridine-3-carbonitrile?
The canonical SMILES for 6-(chloromethyl)-2-(difluoromethyl)-4-oxo-1H-pyridine-3-carbonitrile is N#Cc1c(C(F)F)[nH]c(CCl)cc1=O.
What is the InChIKey of 6-(chloromethyl)-2-(difluoromethyl)-4-oxo-1H-pyridine-3-carbonitrile?
The InChIKey is FSWOGQFPZLYKJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClF2N2O/c9-2-4-1-6(14)5(3-12)7(13-4)8(10)11/h1,8H,2H2,(H,13,14).
What are the key properties of 6-(chloromethyl)-2-(difluoromethyl)-4-oxo-1H-pyridine-3-carbonitrile?
6-(chloromethyl)-2-(difluoromethyl)-4-oxo-1H-pyridine-3-carbonitrile has a molecular weight of 218.59 g/mol, XLogP of 1.92, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(chloromethyl)-2-(difluoromethyl)-4-oxo-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 130076657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).