1-[(2-chloro-3-fluorophenyl)methyl]-6-methyl-2-oxopyridine-3-carbonitrile

C14H10ClFN2O — CID 107072805

IUPAC1-[(2-chloro-3-fluorophenyl)methyl]-6-methyl-2-oxopyridine-3-carbonitrile
SMILESCc1ccc(C#N)c(=O)n1Cc1cccc(F)c1Cl
InChIInChI=1S/C14H10ClFN2O/c1-9-5-6-10(7-17)14(19)18(9)8-11-3-2-4-12(16)13(11)15/h2-6H,8H2,1H3
InChIKeyNILCBXFTAYCKTK-UHFFFAOYSA-N
MW276.70 g/mol
LogP2.87
Rot. Bonds2

About 1-[(2-chloro-3-fluorophenyl)methyl]-6-methyl-2-oxopyridine-3-carbonitrile

1-[(2-chloro-3-fluorophenyl)methyl]-6-methyl-2-oxopyridine-3-carbonitrile (PubChem CID 107072805) has the molecular formula C14H10ClFN2O and a molecular weight of 276.70 g/mol. Its IUPAC name is 1-[(2-chloro-3-fluorophenyl)methyl]-6-methyl-2-oxopyridine-3-carbonitrile.

Molecular Properties

Compound Name1-[(2-chloro-3-fluorophenyl)methyl]-6-methyl-2-oxopyridine-3-carbonitrile
PubChem CID107072805
Molecular FormulaC14H10ClFN2O
Molecular Weight276.70 g/mol
Exact Mass276.05
IUPAC Name1-[(2-chloro-3-fluorophenyl)methyl]-6-methyl-2-oxopyridine-3-carbonitrile
SMILESCc1ccc(C#N)c(=O)n1Cc1cccc(F)c1Cl
InChIInChI=1S/C14H10ClFN2O/c1-9-5-6-10(7-17)14(19)18(9)8-11-3-2-4-12(16)13(11)15/h2-6H,8H2,1H3
InChIKeyNILCBXFTAYCKTK-UHFFFAOYSA-N
XLogP2.87
TPSA45.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.70
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2,6-difluorophenyl)methyl]-6-methyl-2-oxopyridine-3-carbonitrile
CID 107072777
1-[(4-chlorophenyl)methyl]-6-methyl-2-oxopyridine-3-carbonitrile
CID 82099441
1-[(2-chloro-4-methylphenyl)methyl]-6-methyl-2-oxopyridine-3-carbonitrile
CID 107072981
1-[(4-fluoro-2-methylphenyl)methyl]-6-methyl-2-oxopyridine-3-carbonitrile
CID 107072773
1-[(3-cyano-4-fluorophenyl)methyl]-6-methyl-2-oxopyridine-3-carbonitrile
CID 107887296
2-(3-cyano-6-methyl-2-oxo-1-pyridinyl)-N-(2-fluorophenyl)acetamide
CID 82099362
6-methyl-1-(3-methylbut-2-enyl)-2-oxopyridine-3-carbonitrile
CID 107072857
6-methyl-2-oxo-1-(3-sulfanylpropyl)pyridine-3-carbonitrile
CID 130561478
1-(2-amino-2-methylpropyl)-6-methyl-2-oxopyridine-3-carbonitrile
CID 82146932
1-[(Z)-3-chloro-2-methylprop-2-enyl]-6-methyl-2-oxopyridine-3-carbonitrile
CID 106439931
1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-6-methyl-2-oxopyridine-3-carbonitrile
CID 107072782
1-[(2-cyano-4-pyridinyl)methyl]-6-methyl-2-oxopyridine-3-carbonitrile
CID 107072766

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloro-3-fluorophenyl)methyl]-6-methyl-2-oxopyridine-3-carbonitrile?
The IUPAC name of 1-[(2-chloro-3-fluorophenyl)methyl]-6-methyl-2-oxopyridine-3-carbonitrile (CID 107072805) is 1-[(2-chloro-3-fluorophenyl)methyl]-6-methyl-2-oxopyridine-3-carbonitrile.
What is the SMILES notation for 1-[(2-chloro-3-fluorophenyl)methyl]-6-methyl-2-oxopyridine-3-carbonitrile?
The canonical SMILES for 1-[(2-chloro-3-fluorophenyl)methyl]-6-methyl-2-oxopyridine-3-carbonitrile is Cc1ccc(C#N)c(=O)n1Cc1cccc(F)c1Cl.
What is the InChIKey of 1-[(2-chloro-3-fluorophenyl)methyl]-6-methyl-2-oxopyridine-3-carbonitrile?
The InChIKey is NILCBXFTAYCKTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClFN2O/c1-9-5-6-10(7-17)14(19)18(9)8-11-3-2-4-12(16)13(11)15/h2-6H,8H2,1H3.
What are the key properties of 1-[(2-chloro-3-fluorophenyl)methyl]-6-methyl-2-oxopyridine-3-carbonitrile?
1-[(2-chloro-3-fluorophenyl)methyl]-6-methyl-2-oxopyridine-3-carbonitrile has a molecular weight of 276.70 g/mol, XLogP of 2.87, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chloro-3-fluorophenyl)methyl]-6-methyl-2-oxopyridine-3-carbonitrile is sourced from PubChem (CID 107072805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).