2-[3-chloro-6-(difluoromethyl)-2-oxo-1H-pyridin-4-yl]acetonitrile

C8H5ClF2N2O — CID 130072580

IUPAC2-[3-chloro-6-(difluoromethyl)-2-oxo-1H-pyridin-4-yl]acetonitrile
SMILESN#CCc1cc(C(F)F)[nH]c(=O)c1Cl
InChIInChI=1S/C8H5ClF2N2O/c9-6-4(1-2-12)3-5(7(10)11)13-8(6)14/h3,7H,1H2,(H,13,14)
InChIKeyLWZWTLDZBCPZMC-UHFFFAOYSA-N
MW218.59 g/mol
LogP2.03
Rot. Bonds2

About 2-[3-chloro-6-(difluoromethyl)-2-oxo-1H-pyridin-4-yl]acetonitrile

2-[3-chloro-6-(difluoromethyl)-2-oxo-1H-pyridin-4-yl]acetonitrile (PubChem CID 130072580) has the molecular formula C8H5ClF2N2O and a molecular weight of 218.59 g/mol. Its IUPAC name is 2-[3-chloro-6-(difluoromethyl)-2-oxo-1H-pyridin-4-yl]acetonitrile.

Molecular Properties

Compound Name2-[3-chloro-6-(difluoromethyl)-2-oxo-1H-pyridin-4-yl]acetonitrile
PubChem CID130072580
Molecular FormulaC8H5ClF2N2O
Molecular Weight218.59 g/mol
Exact Mass218.01
IUPAC Name2-[3-chloro-6-(difluoromethyl)-2-oxo-1H-pyridin-4-yl]acetonitrile
SMILESN#CCc1cc(C(F)F)[nH]c(=O)c1Cl
InChIInChI=1S/C8H5ClF2N2O/c9-6-4(1-2-12)3-5(7(10)11)13-8(6)14/h3,7H,1H2,(H,13,14)
InChIKeyLWZWTLDZBCPZMC-UHFFFAOYSA-N
XLogP2.03
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 ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-chloro-4-(difluoromethyl)-6-oxo-1H-pyridin-2-yl]acetonitrile
CID 130072565
2-[3-(difluoromethyl)-6-methoxy-2-oxo-1H-pyridin-4-yl]acetonitrile
CID 130083383
4-(chloromethyl)-6-(difluoromethyl)-3-methyl-1H-pyridin-2-one
CID 130083768
2-[2-bromo-6-(difluoromethyl)-4-oxo-1H-pyridin-3-yl]acetonitrile
CID 130110321
2-[6-amino-5-(difluoromethyl)-2-oxo-1H-pyridin-3-yl]acetonitrile
CID 130104792
2-[5-(aminomethyl)-6-(difluoromethyl)-2-oxo-1H-pyridin-3-yl]acetonitrile
CID 130084556
methyl 2-[3-cyano-6-(difluoromethyl)-2-oxo-1H-pyridin-4-yl]acetate
CID 134686450
2-[2-(difluoromethyl)-5-methoxy-6-oxo-1H-pyridin-3-yl]acetonitrile
CID 118848923
2-[3-amino-2-(difluoromethyl)-6-oxo-1H-pyridin-4-yl]acetonitrile
CID 130104803
3-chloro-4-(cyanomethyl)-6-(difluoromethyl)pyridine-2-carbonitrile
CID 134669233
2-[2-bromo-3-(difluoromethyl)-6-oxo-1H-pyridin-4-yl]acetonitrile
CID 118993938
2-(2-oxo-6-propan-2-yl-1H-pyridin-3-yl)acetonitrile
CID 82524660

Frequently Asked Questions

What is the IUPAC name of 2-[3-chloro-6-(difluoromethyl)-2-oxo-1H-pyridin-4-yl]acetonitrile?
The IUPAC name of 2-[3-chloro-6-(difluoromethyl)-2-oxo-1H-pyridin-4-yl]acetonitrile (CID 130072580) is 2-[3-chloro-6-(difluoromethyl)-2-oxo-1H-pyridin-4-yl]acetonitrile.
What is the SMILES notation for 2-[3-chloro-6-(difluoromethyl)-2-oxo-1H-pyridin-4-yl]acetonitrile?
The canonical SMILES for 2-[3-chloro-6-(difluoromethyl)-2-oxo-1H-pyridin-4-yl]acetonitrile is N#CCc1cc(C(F)F)[nH]c(=O)c1Cl.
What is the InChIKey of 2-[3-chloro-6-(difluoromethyl)-2-oxo-1H-pyridin-4-yl]acetonitrile?
The InChIKey is LWZWTLDZBCPZMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClF2N2O/c9-6-4(1-2-12)3-5(7(10)11)13-8(6)14/h3,7H,1H2,(H,13,14).
What are the key properties of 2-[3-chloro-6-(difluoromethyl)-2-oxo-1H-pyridin-4-yl]acetonitrile?
2-[3-chloro-6-(difluoromethyl)-2-oxo-1H-pyridin-4-yl]acetonitrile has a molecular weight of 218.59 g/mol, XLogP of 2.03, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-chloro-6-(difluoromethyl)-2-oxo-1H-pyridin-4-yl]acetonitrile is sourced from PubChem (CID 130072580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).