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

C9H8F2N2O2 — CID 130083383

IUPAC2-[3-(difluoromethyl)-6-methoxy-2-oxo-1H-pyridin-4-yl]acetonitrile
SMILESCOc1cc(CC#N)c(C(F)F)c(=O)[nH]1
InChIInChI=1S/C9H8F2N2O2/c1-15-6-4-5(2-3-12)7(8(10)11)9(14)13-6/h4,8H,2H2,1H3,(H,13,14)
InChIKeyKPCZEGIGDGEINY-UHFFFAOYSA-N
MW214.17 g/mol
LogP1.39
Rot. Bonds3

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

2-[3-(difluoromethyl)-6-methoxy-2-oxo-1H-pyridin-4-yl]acetonitrile (PubChem CID 130083383) has the molecular formula C9H8F2N2O2 and a molecular weight of 214.17 g/mol. Its IUPAC name is 2-[3-(difluoromethyl)-6-methoxy-2-oxo-1H-pyridin-4-yl]acetonitrile.

Molecular Properties

Compound Name2-[3-(difluoromethyl)-6-methoxy-2-oxo-1H-pyridin-4-yl]acetonitrile
PubChem CID130083383
Molecular FormulaC9H8F2N2O2
Molecular Weight214.17 g/mol
Exact Mass214.06
IUPAC Name2-[3-(difluoromethyl)-6-methoxy-2-oxo-1H-pyridin-4-yl]acetonitrile
SMILESCOc1cc(CC#N)c(C(F)F)c(=O)[nH]1
InChIInChI=1S/C9H8F2N2O2/c1-15-6-4-5(2-3-12)7(8(10)11)9(14)13-6/h4,8H,2H2,1H3,(H,13,14)
InChIKeyKPCZEGIGDGEINY-UHFFFAOYSA-N
XLogP1.39
TPSA65.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.17
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-3-(difluoromethyl)-6-methoxy-1H-pyridin-2-one
CID 118799845
2-[2-(difluoromethyl)-5-methoxy-6-oxo-1H-pyridin-3-yl]acetonitrile
CID 118848923
5-(difluoromethyl)-4-methoxy-6-oxo-1H-pyridine-2-carbonitrile
CID 130076436
2-[2-bromo-3-(difluoromethyl)-6-oxo-1H-pyridin-4-yl]acetonitrile
CID 118993938
2-[3-(difluoromethyl)-2-oxo-1H-pyridin-4-yl]acetonitrile
CID 130097132
2-[4-(difluoromethyl)-5-methyl-6-oxo-1H-pyridin-3-yl]acetonitrile
CID 130083854
2-[5-(difluoromethyl)-4-hydroxy-6-oxo-1H-pyridin-2-yl]acetonitrile
CID 130100201
2-[3-chloro-6-(difluoromethyl)-2-oxo-1H-pyridin-4-yl]acetonitrile
CID 130072580
2-[4-(difluoromethyl)-5-methoxy-6-oxo-1H-pyridin-2-yl]acetonitrile
CID 118823856
2-[3-(difluoromethyl)-6-methoxy-4-oxo-1H-pyridin-2-yl]acetic acid
CID 133103454
2-chloro-3-(difluoromethyl)-6-methoxy-1H-pyridin-4-one
CID 130072270
2-[6-amino-5-(difluoromethyl)-2-oxo-1H-pyridin-3-yl]acetonitrile
CID 130104792

Frequently Asked Questions

What is the IUPAC name of 2-[3-(difluoromethyl)-6-methoxy-2-oxo-1H-pyridin-4-yl]acetonitrile?
The IUPAC name of 2-[3-(difluoromethyl)-6-methoxy-2-oxo-1H-pyridin-4-yl]acetonitrile (CID 130083383) is 2-[3-(difluoromethyl)-6-methoxy-2-oxo-1H-pyridin-4-yl]acetonitrile.
What is the SMILES notation for 2-[3-(difluoromethyl)-6-methoxy-2-oxo-1H-pyridin-4-yl]acetonitrile?
The canonical SMILES for 2-[3-(difluoromethyl)-6-methoxy-2-oxo-1H-pyridin-4-yl]acetonitrile is COc1cc(CC#N)c(C(F)F)c(=O)[nH]1.
What is the InChIKey of 2-[3-(difluoromethyl)-6-methoxy-2-oxo-1H-pyridin-4-yl]acetonitrile?
The InChIKey is KPCZEGIGDGEINY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F2N2O2/c1-15-6-4-5(2-3-12)7(8(10)11)9(14)13-6/h4,8H,2H2,1H3,(H,13,14).
What are the key properties of 2-[3-(difluoromethyl)-6-methoxy-2-oxo-1H-pyridin-4-yl]acetonitrile?
2-[3-(difluoromethyl)-6-methoxy-2-oxo-1H-pyridin-4-yl]acetonitrile has a molecular weight of 214.17 g/mol, XLogP of 1.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(difluoromethyl)-6-methoxy-2-oxo-1H-pyridin-4-yl]acetonitrile is sourced from PubChem (CID 130083383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).