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

C8H6F2N2O2 — CID 118817525

IUPAC2-[4-(difluoromethyl)-2-hydroxy-6-oxo-1H-pyridin-3-yl]acetonitrile
SMILESN#CCc1c(C(F)F)cc(=O)[nH]c1O
InChIInChI=1S/C8H6F2N2O2/c9-7(10)5-3-6(13)12-8(14)4(5)1-2-11/h3,7H,1H2,(H2,12,13,14)
InChIKeySWSJPOBQABRNLA-UHFFFAOYSA-N
MW200.14 g/mol
LogP1.08
Rot. Bonds2

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

2-[4-(difluoromethyl)-2-hydroxy-6-oxo-1H-pyridin-3-yl]acetonitrile (PubChem CID 118817525) has the molecular formula C8H6F2N2O2 and a molecular weight of 200.14 g/mol. Its IUPAC name is 2-[4-(difluoromethyl)-2-hydroxy-6-oxo-1H-pyridin-3-yl]acetonitrile.

Molecular Properties

Compound Name2-[4-(difluoromethyl)-2-hydroxy-6-oxo-1H-pyridin-3-yl]acetonitrile
PubChem CID118817525
Molecular FormulaC8H6F2N2O2
Molecular Weight200.14 g/mol
Exact Mass200.04
IUPAC Name2-[4-(difluoromethyl)-2-hydroxy-6-oxo-1H-pyridin-3-yl]acetonitrile
SMILESN#CCc1c(C(F)F)cc(=O)[nH]c1O
InChIInChI=1S/C8H6F2N2O2/c9-7(10)5-3-6(13)12-8(14)4(5)1-2-11/h3,7H,1H2,(H2,12,13,14)
InChIKeySWSJPOBQABRNLA-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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Frequently Asked Questions

What is the IUPAC name of 2-[4-(difluoromethyl)-2-hydroxy-6-oxo-1H-pyridin-3-yl]acetonitrile?
The IUPAC name of 2-[4-(difluoromethyl)-2-hydroxy-6-oxo-1H-pyridin-3-yl]acetonitrile (CID 118817525) is 2-[4-(difluoromethyl)-2-hydroxy-6-oxo-1H-pyridin-3-yl]acetonitrile.
What is the SMILES notation for 2-[4-(difluoromethyl)-2-hydroxy-6-oxo-1H-pyridin-3-yl]acetonitrile?
The canonical SMILES for 2-[4-(difluoromethyl)-2-hydroxy-6-oxo-1H-pyridin-3-yl]acetonitrile is N#CCc1c(C(F)F)cc(=O)[nH]c1O.
What is the InChIKey of 2-[4-(difluoromethyl)-2-hydroxy-6-oxo-1H-pyridin-3-yl]acetonitrile?
The InChIKey is SWSJPOBQABRNLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F2N2O2/c9-7(10)5-3-6(13)12-8(14)4(5)1-2-11/h3,7H,1H2,(H2,12,13,14).
What are the key properties of 2-[4-(difluoromethyl)-2-hydroxy-6-oxo-1H-pyridin-3-yl]acetonitrile?
2-[4-(difluoromethyl)-2-hydroxy-6-oxo-1H-pyridin-3-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-[4-(difluoromethyl)-2-hydroxy-6-oxo-1H-pyridin-3-yl]acetonitrile is sourced from PubChem (CID 118817525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).