2-[5-(difluoromethyl)-4-hydroxy-6-oxo-1H-pyridin-2-yl]acetonitrile

C8H6F2N2O2 — CID 130100201

IUPAC2-[5-(difluoromethyl)-4-hydroxy-6-oxo-1H-pyridin-2-yl]acetonitrile
SMILESN#CCc1cc(O)c(C(F)F)c(=O)[nH]1
InChIInChI=1S/C8H6F2N2O2/c9-7(10)6-5(13)3-4(1-2-11)12-8(6)14/h3,7H,1H2,(H2,12,13,14)
InChIKeyKJEQDGNXIFNIOL-UHFFFAOYSA-N
MW200.14 g/mol
LogP1.08
Rot. Bonds2

About 2-[5-(difluoromethyl)-4-hydroxy-6-oxo-1H-pyridin-2-yl]acetonitrile

2-[5-(difluoromethyl)-4-hydroxy-6-oxo-1H-pyridin-2-yl]acetonitrile (PubChem CID 130100201) has the molecular formula C8H6F2N2O2 and a molecular weight of 200.14 g/mol. Its IUPAC name is 2-[5-(difluoromethyl)-4-hydroxy-6-oxo-1H-pyridin-2-yl]acetonitrile.

Molecular Properties

Compound Name2-[5-(difluoromethyl)-4-hydroxy-6-oxo-1H-pyridin-2-yl]acetonitrile
PubChem CID130100201
Molecular FormulaC8H6F2N2O2
Molecular Weight200.14 g/mol
Exact Mass200.04
IUPAC Name2-[5-(difluoromethyl)-4-hydroxy-6-oxo-1H-pyridin-2-yl]acetonitrile
SMILESN#CCc1cc(O)c(C(F)F)c(=O)[nH]1
InChIInChI=1S/C8H6F2N2O2/c9-7(10)6-5(13)3-4(1-2-11)12-8(6)14/h3,7H,1H2,(H2,12,13,14)
InChIKeyKJEQDGNXIFNIOL-UHFFFAOYSA-N
XLogP1.08
TPSA76.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.14
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-(bromomethyl)-3-(difluoromethyl)-4-hydroxy-1H-pyridin-2-one
CID 130100155
2-[4-(difluoromethyl)-5-hydroxy-2-oxo-1H-pyridin-3-yl]acetonitrile
CID 118852469
2-[4-(difluoromethyl)-5-methoxy-6-oxo-1H-pyridin-2-yl]acetonitrile
CID 118823856
2-[4-(difluoromethyl)-5-nitro-6-oxo-1H-pyridin-2-yl]acetonitrile
CID 118840092
2-[3-(difluoromethyl)-6-methoxy-2-oxo-1H-pyridin-4-yl]acetonitrile
CID 130083383
2-[2-bromo-3-(difluoromethyl)-6-oxo-1H-pyridin-4-yl]acetonitrile
CID 118993938
methyl 2-[4-cyano-5-(difluoromethyl)-6-oxo-1H-pyridin-2-yl]acetate
CID 134685667
2-[3-(difluoromethyl)-2-oxo-1H-pyridin-4-yl]acetonitrile
CID 130097132
5-(difluoromethyl)-6-oxo-4-(trifluoromethyl)-1H-pyridine-2-carbonitrile
CID 130076699
2-[4-(difluoromethyl)-5-methyl-6-oxo-1H-pyridin-3-yl]acetonitrile
CID 130083854
5-(difluoromethyl)-4-methoxy-6-oxo-1H-pyridine-2-carbonitrile
CID 130076436
5-(cyanomethyl)-3-(difluoromethyl)-2-oxo-1H-pyridine-4-carbonitrile
CID 118822034

Frequently Asked Questions

What is the IUPAC name of 2-[5-(difluoromethyl)-4-hydroxy-6-oxo-1H-pyridin-2-yl]acetonitrile?
The IUPAC name of 2-[5-(difluoromethyl)-4-hydroxy-6-oxo-1H-pyridin-2-yl]acetonitrile (CID 130100201) is 2-[5-(difluoromethyl)-4-hydroxy-6-oxo-1H-pyridin-2-yl]acetonitrile.
What is the SMILES notation for 2-[5-(difluoromethyl)-4-hydroxy-6-oxo-1H-pyridin-2-yl]acetonitrile?
The canonical SMILES for 2-[5-(difluoromethyl)-4-hydroxy-6-oxo-1H-pyridin-2-yl]acetonitrile is N#CCc1cc(O)c(C(F)F)c(=O)[nH]1.
What is the InChIKey of 2-[5-(difluoromethyl)-4-hydroxy-6-oxo-1H-pyridin-2-yl]acetonitrile?
The InChIKey is KJEQDGNXIFNIOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F2N2O2/c9-7(10)6-5(13)3-4(1-2-11)12-8(6)14/h3,7H,1H2,(H2,12,13,14).
What are the key properties of 2-[5-(difluoromethyl)-4-hydroxy-6-oxo-1H-pyridin-2-yl]acetonitrile?
2-[5-(difluoromethyl)-4-hydroxy-6-oxo-1H-pyridin-2-yl]acetonitrile has a molecular weight of 200.14 g/mol, XLogP of 1.08, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(difluoromethyl)-4-hydroxy-6-oxo-1H-pyridin-2-yl]acetonitrile is sourced from PubChem (CID 130100201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).