2-hydroxy-4-(3-methoxyphenyl)-6-oxo-1H-pyridine-3-carbonitrile

C13H10N2O3 — CID 116862214

IUPAC2-hydroxy-4-(3-methoxyphenyl)-6-oxo-1H-pyridine-3-carbonitrile
SMILESCOc1cccc(-c2cc(=O)[nH]c(O)c2C#N)c1
InChIInChI=1S/C13H10N2O3/c1-18-9-4-2-3-8(5-9)10-6-12(16)15-13(17)11(10)7-14/h2-6H,1H3,(H2,15,16,17)
InChIKeySZKCMQXIBMPWBT-UHFFFAOYSA-N
MW242.23 g/mol
LogP1.63
Rot. Bonds2

About 2-hydroxy-4-(3-methoxyphenyl)-6-oxo-1H-pyridine-3-carbonitrile

2-hydroxy-4-(3-methoxyphenyl)-6-oxo-1H-pyridine-3-carbonitrile (PubChem CID 116862214) has the molecular formula C13H10N2O3 and a molecular weight of 242.23 g/mol. Its IUPAC name is 2-hydroxy-4-(3-methoxyphenyl)-6-oxo-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-hydroxy-4-(3-methoxyphenyl)-6-oxo-1H-pyridine-3-carbonitrile
PubChem CID116862214
Molecular FormulaC13H10N2O3
Molecular Weight242.23 g/mol
Exact Mass242.07
IUPAC Name2-hydroxy-4-(3-methoxyphenyl)-6-oxo-1H-pyridine-3-carbonitrile
SMILESCOc1cccc(-c2cc(=O)[nH]c(O)c2C#N)c1
InChIInChI=1S/C13H10N2O3/c1-18-9-4-2-3-8(5-9)10-6-12(16)15-13(17)11(10)7-14/h2-6H,1H3,(H2,15,16,17)
InChIKeySZKCMQXIBMPWBT-UHFFFAOYSA-N
XLogP1.63
TPSA86.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.23
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-hydroxy-6-oxo-4-(4-propan-2-ylphenyl)-1H-pyridine-3-carbonitrile
CID 116862156
4-(4-chlorophenyl)-2-hydroxy-6-oxo-1H-pyridine-3-carbonitrile
CID 13403846
4-[2-(3-methoxyphenyl)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168584675
2-hydroxy-6-oxo-4-(1H-pyrrol-3-yl)-1H-pyridine-3-carbonitrile
CID 116862188
2-hydroxy-6-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-pyridine-3-carbonitrile
CID 116862160
2-amino-4-[2-(3-methoxyphenyl)phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169393888
4-(3-methoxyphenyl)-6-oxo-1H-pyrimidine-5-carbonitrile
CID 135518067
4-(4-tert-butylphenyl)-6-(3-methoxyphenyl)-2-oxo-1H-pyridine-3-carbonitrile
CID 19657125
1-ethyl-4-(3-methoxyphenyl)-2-oxopyridine-3-carbonitrile
CID 82120079
4-(2-bromophenyl)-2-hydroxy-6-oxo-1H-pyridine-3-carbonitrile
CID 116862222
6-(3-methoxyphenyl)-2-oxo-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile
CID 1472841
2-amino-6-(1H-benzimidazol-2-yl)-4-(3-methoxyphenyl)pyridine-3-carbonitrile
CID 73349311

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-4-(3-methoxyphenyl)-6-oxo-1H-pyridine-3-carbonitrile?
The IUPAC name of 2-hydroxy-4-(3-methoxyphenyl)-6-oxo-1H-pyridine-3-carbonitrile (CID 116862214) is 2-hydroxy-4-(3-methoxyphenyl)-6-oxo-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 2-hydroxy-4-(3-methoxyphenyl)-6-oxo-1H-pyridine-3-carbonitrile?
The canonical SMILES for 2-hydroxy-4-(3-methoxyphenyl)-6-oxo-1H-pyridine-3-carbonitrile is COc1cccc(-c2cc(=O)[nH]c(O)c2C#N)c1.
What is the InChIKey of 2-hydroxy-4-(3-methoxyphenyl)-6-oxo-1H-pyridine-3-carbonitrile?
The InChIKey is SZKCMQXIBMPWBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O3/c1-18-9-4-2-3-8(5-9)10-6-12(16)15-13(17)11(10)7-14/h2-6H,1H3,(H2,15,16,17).
What are the key properties of 2-hydroxy-4-(3-methoxyphenyl)-6-oxo-1H-pyridine-3-carbonitrile?
2-hydroxy-4-(3-methoxyphenyl)-6-oxo-1H-pyridine-3-carbonitrile has a molecular weight of 242.23 g/mol, XLogP of 1.63, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-4-(3-methoxyphenyl)-6-oxo-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 116862214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).