1-[(2,6-difluorophenyl)methyl]-6-methyl-2-oxopyridine-3-carbonitrile

C14H10F2N2O — CID 107072777

IUPAC1-[(2,6-difluorophenyl)methyl]-6-methyl-2-oxopyridine-3-carbonitrile
SMILESCc1ccc(C#N)c(=O)n1Cc1c(F)cccc1F
InChIInChI=1S/C14H10F2N2O/c1-9-5-6-10(7-17)14(19)18(9)8-11-12(15)3-2-4-13(11)16/h2-6H,8H2,1H3
InChIKeyQXXYDWUYEKAGKI-UHFFFAOYSA-N
MW260.24 g/mol
LogP2.35
Rot. Bonds2

About 1-[(2,6-difluorophenyl)methyl]-6-methyl-2-oxopyridine-3-carbonitrile

1-[(2,6-difluorophenyl)methyl]-6-methyl-2-oxopyridine-3-carbonitrile (PubChem CID 107072777) has the molecular formula C14H10F2N2O and a molecular weight of 260.24 g/mol. Its IUPAC name is 1-[(2,6-difluorophenyl)methyl]-6-methyl-2-oxopyridine-3-carbonitrile.

Molecular Properties

Compound Name1-[(2,6-difluorophenyl)methyl]-6-methyl-2-oxopyridine-3-carbonitrile
PubChem CID107072777
Molecular FormulaC14H10F2N2O
Molecular Weight260.24 g/mol
Exact Mass260.08
IUPAC Name1-[(2,6-difluorophenyl)methyl]-6-methyl-2-oxopyridine-3-carbonitrile
SMILESCc1ccc(C#N)c(=O)n1Cc1c(F)cccc1F
InChIInChI=1S/C14H10F2N2O/c1-9-5-6-10(7-17)14(19)18(9)8-11-12(15)3-2-4-13(11)16/h2-6H,8H2,1H3
InChIKeyQXXYDWUYEKAGKI-UHFFFAOYSA-N
XLogP2.35
TPSA45.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.24
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(2,6-difluorophenyl)methyl]-6-methyl-2-oxopyridine-3-carbonitrile?
The IUPAC name of 1-[(2,6-difluorophenyl)methyl]-6-methyl-2-oxopyridine-3-carbonitrile (CID 107072777) is 1-[(2,6-difluorophenyl)methyl]-6-methyl-2-oxopyridine-3-carbonitrile.
What is the SMILES notation for 1-[(2,6-difluorophenyl)methyl]-6-methyl-2-oxopyridine-3-carbonitrile?
The canonical SMILES for 1-[(2,6-difluorophenyl)methyl]-6-methyl-2-oxopyridine-3-carbonitrile is Cc1ccc(C#N)c(=O)n1Cc1c(F)cccc1F.
What is the InChIKey of 1-[(2,6-difluorophenyl)methyl]-6-methyl-2-oxopyridine-3-carbonitrile?
The InChIKey is QXXYDWUYEKAGKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F2N2O/c1-9-5-6-10(7-17)14(19)18(9)8-11-12(15)3-2-4-13(11)16/h2-6H,8H2,1H3.
What are the key properties of 1-[(2,6-difluorophenyl)methyl]-6-methyl-2-oxopyridine-3-carbonitrile?
1-[(2,6-difluorophenyl)methyl]-6-methyl-2-oxopyridine-3-carbonitrile has a molecular weight of 260.24 g/mol, XLogP of 2.35, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,6-difluorophenyl)methyl]-6-methyl-2-oxopyridine-3-carbonitrile is sourced from PubChem (CID 107072777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).