1-(3-fluorophenyl)-4,6-dimethyl-2-oxopyridine-3-carbonitrile

C14H11FN2O — CID 686696

IUPAC1-(3-fluorophenyl)-4,6-dimethyl-2-oxopyridine-3-carbonitrile
SMILESCc1cc(C)n(-c2cccc(F)c2)c(=O)c1C#N
InChIInChI=1S/C14H11FN2O/c1-9-6-10(2)17(14(18)13(9)8-16)12-5-3-4-11(15)7-12/h3-7H,1-2H3
InChIKeyBWVQVIOGVAGXAI-UHFFFAOYSA-N
MW242.25 g/mol
LogP2.47
Rot. Bonds1

About 1-(3-fluorophenyl)-4,6-dimethyl-2-oxopyridine-3-carbonitrile

1-(3-fluorophenyl)-4,6-dimethyl-2-oxopyridine-3-carbonitrile (PubChem CID 686696) has the molecular formula C14H11FN2O and a molecular weight of 242.25 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-4,6-dimethyl-2-oxopyridine-3-carbonitrile.

Molecular Properties

Compound Name1-(3-fluorophenyl)-4,6-dimethyl-2-oxopyridine-3-carbonitrile
PubChem CID686696
Molecular FormulaC14H11FN2O
Molecular Weight242.25 g/mol
Exact Mass242.09
IUPAC Name1-(3-fluorophenyl)-4,6-dimethyl-2-oxopyridine-3-carbonitrile
SMILESCc1cc(C)n(-c2cccc(F)c2)c(=O)c1C#N
InChIInChI=1S/C14H11FN2O/c1-9-6-10(2)17(14(18)13(9)8-16)12-5-3-4-11(15)7-12/h3-7H,1-2H3
InChIKeyBWVQVIOGVAGXAI-UHFFFAOYSA-N
XLogP2.47
TPSA45.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.25
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-4,6-dimethyl-2-oxopyridine-3-carbonitrile?
The IUPAC name of 1-(3-fluorophenyl)-4,6-dimethyl-2-oxopyridine-3-carbonitrile (CID 686696) is 1-(3-fluorophenyl)-4,6-dimethyl-2-oxopyridine-3-carbonitrile.
What is the SMILES notation for 1-(3-fluorophenyl)-4,6-dimethyl-2-oxopyridine-3-carbonitrile?
The canonical SMILES for 1-(3-fluorophenyl)-4,6-dimethyl-2-oxopyridine-3-carbonitrile is Cc1cc(C)n(-c2cccc(F)c2)c(=O)c1C#N.
What is the InChIKey of 1-(3-fluorophenyl)-4,6-dimethyl-2-oxopyridine-3-carbonitrile?
The InChIKey is BWVQVIOGVAGXAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN2O/c1-9-6-10(2)17(14(18)13(9)8-16)12-5-3-4-11(15)7-12/h3-7H,1-2H3.
What are the key properties of 1-(3-fluorophenyl)-4,6-dimethyl-2-oxopyridine-3-carbonitrile?
1-(3-fluorophenyl)-4,6-dimethyl-2-oxopyridine-3-carbonitrile has a molecular weight of 242.25 g/mol, XLogP of 2.47, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-4,6-dimethyl-2-oxopyridine-3-carbonitrile is sourced from PubChem (CID 686696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).