3-(difluoromethyl)-5-methoxy-2-oxo-1H-pyridine-4-carbonitrile

C8H6F2N2O2 — CID 118827433

IUPAC3-(difluoromethyl)-5-methoxy-2-oxo-1H-pyridine-4-carbonitrile
SMILESCOc1c[nH]c(=O)c(C(F)F)c1C#N
InChIInChI=1S/C8H6F2N2O2/c1-14-5-3-12-8(13)6(7(9)10)4(5)2-11/h3,7H,1H3,(H,12,13)
InChIKeyTVSBGJLSAATDLO-UHFFFAOYSA-N
MW200.14 g/mol
LogP1.19
Rot. Bonds2

About 3-(difluoromethyl)-5-methoxy-2-oxo-1H-pyridine-4-carbonitrile

3-(difluoromethyl)-5-methoxy-2-oxo-1H-pyridine-4-carbonitrile (PubChem CID 118827433) has the molecular formula C8H6F2N2O2 and a molecular weight of 200.14 g/mol. Its IUPAC name is 3-(difluoromethyl)-5-methoxy-2-oxo-1H-pyridine-4-carbonitrile.

Molecular Properties

Compound Name3-(difluoromethyl)-5-methoxy-2-oxo-1H-pyridine-4-carbonitrile
PubChem CID118827433
Molecular FormulaC8H6F2N2O2
Molecular Weight200.14 g/mol
Exact Mass200.04
IUPAC Name3-(difluoromethyl)-5-methoxy-2-oxo-1H-pyridine-4-carbonitrile
SMILESCOc1c[nH]c(=O)c(C(F)F)c1C#N
InChIInChI=1S/C8H6F2N2O2/c1-14-5-3-12-8(13)6(7(9)10)4(5)2-11/h3,7H,1H3,(H,12,13)
InChIKeyTVSBGJLSAATDLO-UHFFFAOYSA-N
XLogP1.19
TPSA65.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.14
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-5-methoxy-2-oxo-1H-pyridine-4-carbonitrile?
The IUPAC name of 3-(difluoromethyl)-5-methoxy-2-oxo-1H-pyridine-4-carbonitrile (CID 118827433) is 3-(difluoromethyl)-5-methoxy-2-oxo-1H-pyridine-4-carbonitrile.
What is the SMILES notation for 3-(difluoromethyl)-5-methoxy-2-oxo-1H-pyridine-4-carbonitrile?
The canonical SMILES for 3-(difluoromethyl)-5-methoxy-2-oxo-1H-pyridine-4-carbonitrile is COc1c[nH]c(=O)c(C(F)F)c1C#N.
What is the InChIKey of 3-(difluoromethyl)-5-methoxy-2-oxo-1H-pyridine-4-carbonitrile?
The InChIKey is TVSBGJLSAATDLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F2N2O2/c1-14-5-3-12-8(13)6(7(9)10)4(5)2-11/h3,7H,1H3,(H,12,13).
What are the key properties of 3-(difluoromethyl)-5-methoxy-2-oxo-1H-pyridine-4-carbonitrile?
3-(difluoromethyl)-5-methoxy-2-oxo-1H-pyridine-4-carbonitrile has a molecular weight of 200.14 g/mol, XLogP of 1.19, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-5-methoxy-2-oxo-1H-pyridine-4-carbonitrile is sourced from PubChem (CID 118827433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).