4-(1,1-difluoropropyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile

C10H10F2N2O — CID 121450978

IUPAC4-(1,1-difluoropropyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
SMILESCCC(F)(F)c1cc(C)[nH]c(=O)c1C#N
InChIInChI=1S/C10H10F2N2O/c1-3-10(11,12)8-4-6(2)14-9(15)7(8)5-13/h4H,3H2,1-2H3,(H,14,15)
InChIKeyUSMBWMGINOFQBC-UHFFFAOYSA-N
MW212.20 g/mol
LogP2.06
Rot. Bonds2

About 4-(1,1-difluoropropyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile

4-(1,1-difluoropropyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile (PubChem CID 121450978) has the molecular formula C10H10F2N2O and a molecular weight of 212.20 g/mol. Its IUPAC name is 4-(1,1-difluoropropyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-(1,1-difluoropropyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
PubChem CID121450978
Molecular FormulaC10H10F2N2O
Molecular Weight212.20 g/mol
Exact Mass212.08
IUPAC Name4-(1,1-difluoropropyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
SMILESCCC(F)(F)c1cc(C)[nH]c(=O)c1C#N
InChIInChI=1S/C10H10F2N2O/c1-3-10(11,12)8-4-6(2)14-9(15)7(8)5-13/h4H,3H2,1-2H3,(H,14,15)
InChIKeyUSMBWMGINOFQBC-UHFFFAOYSA-N
XLogP2.06
TPSA56.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.20
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(1,1-difluoropropyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile?
The IUPAC name of 4-(1,1-difluoropropyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile (CID 121450978) is 4-(1,1-difluoropropyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 4-(1,1-difluoropropyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile?
The canonical SMILES for 4-(1,1-difluoropropyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile is CCC(F)(F)c1cc(C)[nH]c(=O)c1C#N.
What is the InChIKey of 4-(1,1-difluoropropyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile?
The InChIKey is USMBWMGINOFQBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F2N2O/c1-3-10(11,12)8-4-6(2)14-9(15)7(8)5-13/h4H,3H2,1-2H3,(H,14,15).
What are the key properties of 4-(1,1-difluoropropyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile?
4-(1,1-difluoropropyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile has a molecular weight of 212.20 g/mol, XLogP of 2.06, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,1-difluoropropyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 121450978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).