1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-6-methyl-2-oxopyridine-3-carbonitrile

C12H10F2N4O — CID 107072782

IUPAC1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-6-methyl-2-oxopyridine-3-carbonitrile
SMILESCc1ccc(C#N)c(=O)n1Cc1nccn1C(F)F
InChIInChI=1S/C12H10F2N4O/c1-8-2-3-9(6-15)11(19)18(8)7-10-16-4-5-17(10)12(13)14/h2-5,12H,7H2,1H3
InChIKeyMXBUHYGNGOERSA-UHFFFAOYSA-N
MW264.24 g/mol
LogP1.67
Rot. Bonds3

About 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-6-methyl-2-oxopyridine-3-carbonitrile

1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-6-methyl-2-oxopyridine-3-carbonitrile (PubChem CID 107072782) has the molecular formula C12H10F2N4O and a molecular weight of 264.24 g/mol. Its IUPAC name is 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-6-methyl-2-oxopyridine-3-carbonitrile.

Molecular Properties

Compound Name1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-6-methyl-2-oxopyridine-3-carbonitrile
PubChem CID107072782
Molecular FormulaC12H10F2N4O
Molecular Weight264.24 g/mol
Exact Mass264.08
IUPAC Name1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-6-methyl-2-oxopyridine-3-carbonitrile
SMILESCc1ccc(C#N)c(=O)n1Cc1nccn1C(F)F
InChIInChI=1S/C12H10F2N4O/c1-8-2-3-9(6-15)11(19)18(8)7-10-16-4-5-17(10)12(13)14/h2-5,12H,7H2,1H3
InChIKeyMXBUHYGNGOERSA-UHFFFAOYSA-N
XLogP1.67
TPSA63.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.24
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(2-cyano-4-pyridinyl)methyl]-6-methyl-2-oxopyridine-3-carbonitrile
CID 107072766
1-[(2,6-difluorophenyl)methyl]-6-methyl-2-oxopyridine-3-carbonitrile
CID 107072777
4-acetyl-2-[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]benzonitrile
CID 133456890
6-methyl-2-oxo-1-[(3-propan-2-ylimidazol-4-yl)methyl]pyridine-3-carbonitrile
CID 107072974
1-[(4-chlorophenyl)methyl]-6-methyl-2-oxopyridine-3-carbonitrile
CID 82099441
1-[(3-cyano-4-fluorophenyl)methyl]-6-methyl-2-oxopyridine-3-carbonitrile
CID 107887296
1-[(4-fluoro-2-methylphenyl)methyl]-6-methyl-2-oxopyridine-3-carbonitrile
CID 107072773
1-[(2-chloro-3-fluorophenyl)methyl]-6-methyl-2-oxopyridine-3-carbonitrile
CID 107072805
3-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1,3-benzothiazol-2-one
CID 71923591
6-methyl-1-[2-(2-methylpropoxy)ethyl]-2-oxopyridine-3-carbonitrile
CID 107073006
6-methyl-2-oxo-1-(3-sulfanylpropyl)pyridine-3-carbonitrile
CID 130561478
6-methyl-1-(3-methylbut-2-enyl)-2-oxopyridine-3-carbonitrile
CID 107072857

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-6-methyl-2-oxopyridine-3-carbonitrile?
The IUPAC name of 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-6-methyl-2-oxopyridine-3-carbonitrile (CID 107072782) is 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-6-methyl-2-oxopyridine-3-carbonitrile.
What is the SMILES notation for 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-6-methyl-2-oxopyridine-3-carbonitrile?
The canonical SMILES for 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-6-methyl-2-oxopyridine-3-carbonitrile is Cc1ccc(C#N)c(=O)n1Cc1nccn1C(F)F.
What is the InChIKey of 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-6-methyl-2-oxopyridine-3-carbonitrile?
The InChIKey is MXBUHYGNGOERSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F2N4O/c1-8-2-3-9(6-15)11(19)18(8)7-10-16-4-5-17(10)12(13)14/h2-5,12H,7H2,1H3.
What are the key properties of 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-6-methyl-2-oxopyridine-3-carbonitrile?
1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-6-methyl-2-oxopyridine-3-carbonitrile has a molecular weight of 264.24 g/mol, XLogP of 1.67, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-6-methyl-2-oxopyridine-3-carbonitrile is sourced from PubChem (CID 107072782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).