2-[2-(difluoromethyl)-5-hydroxy-4-oxo-1H-pyridin-3-yl]acetonitrile

C8H6F2N2O2 — CID 118820569

IUPAC2-[2-(difluoromethyl)-5-hydroxy-4-oxo-1H-pyridin-3-yl]acetonitrile
SMILESN#CCc1c(C(F)F)[nH]cc(O)c1=O
InChIInChI=1S/C8H6F2N2O2/c9-8(10)6-4(1-2-11)7(14)5(13)3-12-6/h3,8,13H,1H2,(H,12,14)
InChIKeyPZDOWTLDHHPPIN-UHFFFAOYSA-N
MW200.14 g/mol
LogP1.08
Rot. Bonds2

About 2-[2-(difluoromethyl)-5-hydroxy-4-oxo-1H-pyridin-3-yl]acetonitrile

2-[2-(difluoromethyl)-5-hydroxy-4-oxo-1H-pyridin-3-yl]acetonitrile (PubChem CID 118820569) has the molecular formula C8H6F2N2O2 and a molecular weight of 200.14 g/mol. Its IUPAC name is 2-[2-(difluoromethyl)-5-hydroxy-4-oxo-1H-pyridin-3-yl]acetonitrile.

Molecular Properties

Compound Name2-[2-(difluoromethyl)-5-hydroxy-4-oxo-1H-pyridin-3-yl]acetonitrile
PubChem CID118820569
Molecular FormulaC8H6F2N2O2
Molecular Weight200.14 g/mol
Exact Mass200.04
IUPAC Name2-[2-(difluoromethyl)-5-hydroxy-4-oxo-1H-pyridin-3-yl]acetonitrile
SMILESN#CCc1c(C(F)F)[nH]cc(O)c1=O
InChIInChI=1S/C8H6F2N2O2/c9-8(10)6-4(1-2-11)7(14)5(13)3-12-6/h3,8,13H,1H2,(H,12,14)
InChIKeyPZDOWTLDHHPPIN-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-[2-(difluoromethyl)-5-hydroxy-4-oxo-1H-pyridin-3-yl]acetonitrile?
The IUPAC name of 2-[2-(difluoromethyl)-5-hydroxy-4-oxo-1H-pyridin-3-yl]acetonitrile (CID 118820569) is 2-[2-(difluoromethyl)-5-hydroxy-4-oxo-1H-pyridin-3-yl]acetonitrile.
What is the SMILES notation for 2-[2-(difluoromethyl)-5-hydroxy-4-oxo-1H-pyridin-3-yl]acetonitrile?
The canonical SMILES for 2-[2-(difluoromethyl)-5-hydroxy-4-oxo-1H-pyridin-3-yl]acetonitrile is N#CCc1c(C(F)F)[nH]cc(O)c1=O.
What is the InChIKey of 2-[2-(difluoromethyl)-5-hydroxy-4-oxo-1H-pyridin-3-yl]acetonitrile?
The InChIKey is PZDOWTLDHHPPIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F2N2O2/c9-8(10)6-4(1-2-11)7(14)5(13)3-12-6/h3,8,13H,1H2,(H,12,14).
What are the key properties of 2-[2-(difluoromethyl)-5-hydroxy-4-oxo-1H-pyridin-3-yl]acetonitrile?
2-[2-(difluoromethyl)-5-hydroxy-4-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-[2-(difluoromethyl)-5-hydroxy-4-oxo-1H-pyridin-3-yl]acetonitrile is sourced from PubChem (CID 118820569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).