6-methoxy-2-oxo-5-phenyl-1H-pyridine-3-carbonitrile

C13H10N2O2 — CID 13101635

IUPAC6-methoxy-2-oxo-5-phenyl-1H-pyridine-3-carbonitrile
SMILESCOc1[nH]c(=O)c(C#N)cc1-c1ccccc1
InChIInChI=1S/C13H10N2O2/c1-17-13-11(9-5-3-2-4-6-9)7-10(8-14)12(16)15-13/h2-7H,1H3,(H,15,16)
InChIKeyOOLDDBRTICAVSP-UHFFFAOYSA-N
MW226.24 g/mol
LogP1.92
Rot. Bonds2

About 6-methoxy-2-oxo-5-phenyl-1H-pyridine-3-carbonitrile

6-methoxy-2-oxo-5-phenyl-1H-pyridine-3-carbonitrile (PubChem CID 13101635) has the molecular formula C13H10N2O2 and a molecular weight of 226.24 g/mol. Its IUPAC name is 6-methoxy-2-oxo-5-phenyl-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-methoxy-2-oxo-5-phenyl-1H-pyridine-3-carbonitrile
PubChem CID13101635
Molecular FormulaC13H10N2O2
Molecular Weight226.24 g/mol
Exact Mass226.07
IUPAC Name6-methoxy-2-oxo-5-phenyl-1H-pyridine-3-carbonitrile
SMILESCOc1[nH]c(=O)c(C#N)cc1-c1ccccc1
InChIInChI=1S/C13H10N2O2/c1-17-13-11(9-5-3-2-4-6-9)7-10(8-14)12(16)15-13/h2-7H,1H3,(H,15,16)
InChIKeyOOLDDBRTICAVSP-UHFFFAOYSA-N
XLogP1.92
TPSA65.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-hydroxy-2-oxo-5-phenyl-1H-pyridine-3-carbonitrile
CID 817466
ethane;6-(4-methylphenyl)-2-oxo-5-phenyl-1H-pyridine-3-carbonitrile
CID 142818982
2-methoxy-3-phenylbenzonitrile
CID 91276072
2-oxo-7-phenyl-1H-1,8-naphthyridine-3-carbonitrile
CID 131842504
2-[4-cyano-3-[4-cyano-3-[4-cyano-3-[4-cyano-3-(4-cyano-3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]-4-phenylbenzonitrile
CID 100933714
6-methoxy-5-methyl-3-phenyl-1H-pyrazin-2-one
CID 10536676
4-bromo-5-methoxy-2-phenylbenzonitrile
CID 175277846
ethene;6-methyl-2-oxo-5-pyridin-4-yl-1H-pyridine-3-carbonitrile
CID 22605028
potassium;6-methyl-2-oxo-5-pyridin-4-yl-1H-pyridine-3-carbonitrile;hydroxide
CID 67782045
2-oxo-6-phenyl-5-phenyldiazenyl-1H-pyridine-3-carbonitrile
CID 146171449
4-iodo-5-methoxy-2-phenylbenzonitrile
CID 175277851
methyl 4-(2-cyano-5-phenylphenyl)benzoate
CID 138707085

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-oxo-5-phenyl-1H-pyridine-3-carbonitrile?
The IUPAC name of 6-methoxy-2-oxo-5-phenyl-1H-pyridine-3-carbonitrile (CID 13101635) is 6-methoxy-2-oxo-5-phenyl-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 6-methoxy-2-oxo-5-phenyl-1H-pyridine-3-carbonitrile?
The canonical SMILES for 6-methoxy-2-oxo-5-phenyl-1H-pyridine-3-carbonitrile is COc1[nH]c(=O)c(C#N)cc1-c1ccccc1.
What is the InChIKey of 6-methoxy-2-oxo-5-phenyl-1H-pyridine-3-carbonitrile?
The InChIKey is OOLDDBRTICAVSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O2/c1-17-13-11(9-5-3-2-4-6-9)7-10(8-14)12(16)15-13/h2-7H,1H3,(H,15,16).
What are the key properties of 6-methoxy-2-oxo-5-phenyl-1H-pyridine-3-carbonitrile?
6-methoxy-2-oxo-5-phenyl-1H-pyridine-3-carbonitrile has a molecular weight of 226.24 g/mol, XLogP of 1.92, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-oxo-5-phenyl-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 13101635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).