2-oxo-4-[(E)-2-phenylethenyl]-1H-pyridine-3-carbonitrile

C14H10N2O — CID 139236741

IUPAC2-oxo-4-[(E)-2-phenylethenyl]-1H-pyridine-3-carbonitrile
SMILESN#Cc1c(/C=C/c2ccccc2)cc[nH]c1=O
InChIInChI=1S/C14H10N2O/c15-10-13-12(8-9-16-14(13)17)7-6-11-4-2-1-3-5-11/h1-9H,(H,16,17)/b7-6+
InChIKeyCRBSBRPMCHAPQG-VOTSOKGWSA-N
MW222.25 g/mol
LogP2.42
Rot. Bonds2

About 2-oxo-4-[(E)-2-phenylethenyl]-1H-pyridine-3-carbonitrile

2-oxo-4-[(E)-2-phenylethenyl]-1H-pyridine-3-carbonitrile (PubChem CID 139236741) has the molecular formula C14H10N2O and a molecular weight of 222.25 g/mol. Its IUPAC name is 2-oxo-4-[(E)-2-phenylethenyl]-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-oxo-4-[(E)-2-phenylethenyl]-1H-pyridine-3-carbonitrile
PubChem CID139236741
Molecular FormulaC14H10N2O
Molecular Weight222.25 g/mol
Exact Mass222.08
IUPAC Name2-oxo-4-[(E)-2-phenylethenyl]-1H-pyridine-3-carbonitrile
SMILESN#Cc1c(/C=C/c2ccccc2)cc[nH]c1=O
InChIInChI=1S/C14H10N2O/c15-10-13-12(8-9-16-14(13)17)7-6-11-4-2-1-3-5-11/h1-9H,(H,16,17)/b7-6+
InChIKeyCRBSBRPMCHAPQG-VOTSOKGWSA-N
XLogP2.42
TPSA56.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-oxo-4-[(E)-2-phenylethenyl]-1H-pyridine-3-carbonitrile?
The IUPAC name of 2-oxo-4-[(E)-2-phenylethenyl]-1H-pyridine-3-carbonitrile (CID 139236741) is 2-oxo-4-[(E)-2-phenylethenyl]-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 2-oxo-4-[(E)-2-phenylethenyl]-1H-pyridine-3-carbonitrile?
The canonical SMILES for 2-oxo-4-[(E)-2-phenylethenyl]-1H-pyridine-3-carbonitrile is N#Cc1c(/C=C/c2ccccc2)cc[nH]c1=O.
What is the InChIKey of 2-oxo-4-[(E)-2-phenylethenyl]-1H-pyridine-3-carbonitrile?
The InChIKey is CRBSBRPMCHAPQG-VOTSOKGWSA-N. The full InChI is InChI=1S/C14H10N2O/c15-10-13-12(8-9-16-14(13)17)7-6-11-4-2-1-3-5-11/h1-9H,(H,16,17)/b7-6+.
What are the key properties of 2-oxo-4-[(E)-2-phenylethenyl]-1H-pyridine-3-carbonitrile?
2-oxo-4-[(E)-2-phenylethenyl]-1H-pyridine-3-carbonitrile has a molecular weight of 222.25 g/mol, XLogP of 2.42, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-4-[(E)-2-phenylethenyl]-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 139236741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).