methanol;4-(2-methylphenyl)-6-oxo-1H-pyridine-3-carbonitrile

C14H14N2O2 — CID 162028878

IUPACmethanol;4-(2-methylphenyl)-6-oxo-1H-pyridine-3-carbonitrile
SMILESCO.Cc1ccccc1-c1cc(=O)[nH]cc1C#N
InChIInChI=1S/C13H10N2O.CH4O/c1-9-4-2-3-5-11(9)12-6-13(16)15-8-10(12)7-14;1-2/h2-6,8H,1H3,(H,15,16);2H,1H3
InChIKeyYVTJIZYDDQZWKS-UHFFFAOYSA-N
MW242.28 g/mol
LogP1.83
Rot. Bonds1

About methanol;4-(2-methylphenyl)-6-oxo-1H-pyridine-3-carbonitrile

methanol;4-(2-methylphenyl)-6-oxo-1H-pyridine-3-carbonitrile (PubChem CID 162028878) has the molecular formula C14H14N2O2 and a molecular weight of 242.28 g/mol. Its IUPAC name is methanol;4-(2-methylphenyl)-6-oxo-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Namemethanol;4-(2-methylphenyl)-6-oxo-1H-pyridine-3-carbonitrile
PubChem CID162028878
Molecular FormulaC14H14N2O2
Molecular Weight242.28 g/mol
Exact Mass242.11
IUPAC Namemethanol;4-(2-methylphenyl)-6-oxo-1H-pyridine-3-carbonitrile
SMILESCO.Cc1ccccc1-c1cc(=O)[nH]cc1C#N
InChIInChI=1S/C13H10N2O.CH4O/c1-9-4-2-3-5-11(9)12-6-13(16)15-8-10(12)7-14;1-2/h2-6,8H,1H3,(H,15,16);2H,1H3
InChIKeyYVTJIZYDDQZWKS-UHFFFAOYSA-N
XLogP1.83
TPSA76.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-methylphenyl)-6-oxo-1H-pyridine-3-carbonitrile
CID 69489200
4-amino-2-(2-methylphenyl)benzonitrile
CID 70133478
4-(2-methylphenyl)-2-oxo-1H-pyridine-3-carbonitrile
CID 82077939
7-methyl-1H-indole-3-carbonitrile
CID 34177049
1,6-dimethyl-4-(2-methylphenyl)-2-oxopyridine-3-carbonitrile
CID 82084066
6-(2-methylphenyl)benzene-1,2,4-tricarbonitrile
CID 126492572
carbonic acid;1-methyl-2-(2-methylphenyl)benzene
CID 67741238
2-methylbenzonitrile
CID 162098401
4-amino-2-fluoro-5-(2-methylphenyl)benzonitrile
CID 168654710
4-(2,3-dimethylphenyl)-1H-pyrrole-3-carbonitrile;vanadium
CID 158853531
5-cyano-2-(2-methylphenyl)pyridine-4-carboxylic acid
CID 115042471
azane;2-methylbenzonitrile
CID 158673628

Frequently Asked Questions

What is the IUPAC name of methanol;4-(2-methylphenyl)-6-oxo-1H-pyridine-3-carbonitrile?
The IUPAC name of methanol;4-(2-methylphenyl)-6-oxo-1H-pyridine-3-carbonitrile (CID 162028878) is methanol;4-(2-methylphenyl)-6-oxo-1H-pyridine-3-carbonitrile.
What is the SMILES notation for methanol;4-(2-methylphenyl)-6-oxo-1H-pyridine-3-carbonitrile?
The canonical SMILES for methanol;4-(2-methylphenyl)-6-oxo-1H-pyridine-3-carbonitrile is CO.Cc1ccccc1-c1cc(=O)[nH]cc1C#N.
What is the InChIKey of methanol;4-(2-methylphenyl)-6-oxo-1H-pyridine-3-carbonitrile?
The InChIKey is YVTJIZYDDQZWKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O.CH4O/c1-9-4-2-3-5-11(9)12-6-13(16)15-8-10(12)7-14;1-2/h2-6,8H,1H3,(H,15,16);2H,1H3.
What are the key properties of methanol;4-(2-methylphenyl)-6-oxo-1H-pyridine-3-carbonitrile?
methanol;4-(2-methylphenyl)-6-oxo-1H-pyridine-3-carbonitrile has a molecular weight of 242.28 g/mol, XLogP of 1.83, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methanol;4-(2-methylphenyl)-6-oxo-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 162028878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).