4-(difluoromethyl)-5-methoxy-6-oxo-1H-pyridine-3-carbonitrile

C8H6F2N2O2 — CID 130076455

IUPAC4-(difluoromethyl)-5-methoxy-6-oxo-1H-pyridine-3-carbonitrile
SMILESCOc1c(C(F)F)c(C#N)c[nH]c1=O
InChIInChI=1S/C8H6F2N2O2/c1-14-6-5(7(9)10)4(2-11)3-12-8(6)13/h3,7H,1H3,(H,12,13)
InChIKeyJTWLHLHJFICBEY-UHFFFAOYSA-N
MW200.14 g/mol
LogP1.19
Rot. Bonds2

About 4-(difluoromethyl)-5-methoxy-6-oxo-1H-pyridine-3-carbonitrile

4-(difluoromethyl)-5-methoxy-6-oxo-1H-pyridine-3-carbonitrile (PubChem CID 130076455) has the molecular formula C8H6F2N2O2 and a molecular weight of 200.14 g/mol. Its IUPAC name is 4-(difluoromethyl)-5-methoxy-6-oxo-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-(difluoromethyl)-5-methoxy-6-oxo-1H-pyridine-3-carbonitrile
PubChem CID130076455
Molecular FormulaC8H6F2N2O2
Molecular Weight200.14 g/mol
Exact Mass200.04
IUPAC Name4-(difluoromethyl)-5-methoxy-6-oxo-1H-pyridine-3-carbonitrile
SMILESCOc1c(C(F)F)c(C#N)c[nH]c1=O
InChIInChI=1S/C8H6F2N2O2/c1-14-6-5(7(9)10)4(2-11)3-12-8(6)13/h3,7H,1H3,(H,12,13)
InChIKeyJTWLHLHJFICBEY-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 4-(difluoromethyl)-5-methoxy-6-oxo-1H-pyridine-3-carbonitrile?
The IUPAC name of 4-(difluoromethyl)-5-methoxy-6-oxo-1H-pyridine-3-carbonitrile (CID 130076455) is 4-(difluoromethyl)-5-methoxy-6-oxo-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 4-(difluoromethyl)-5-methoxy-6-oxo-1H-pyridine-3-carbonitrile?
The canonical SMILES for 4-(difluoromethyl)-5-methoxy-6-oxo-1H-pyridine-3-carbonitrile is COc1c(C(F)F)c(C#N)c[nH]c1=O.
What is the InChIKey of 4-(difluoromethyl)-5-methoxy-6-oxo-1H-pyridine-3-carbonitrile?
The InChIKey is JTWLHLHJFICBEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F2N2O2/c1-14-6-5(7(9)10)4(2-11)3-12-8(6)13/h3,7H,1H3,(H,12,13).
What are the key properties of 4-(difluoromethyl)-5-methoxy-6-oxo-1H-pyridine-3-carbonitrile?
4-(difluoromethyl)-5-methoxy-6-oxo-1H-pyridine-3-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 4-(difluoromethyl)-5-methoxy-6-oxo-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 130076455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).