2-oxo-6-phenyl-1-prop-2-ynylpyridine-3-carbonitrile

C15H10N2O — CID 1488312

IUPAC2-oxo-6-phenyl-1-prop-2-ynylpyridine-3-carbonitrile
SMILESC#CCn1c(-c2ccccc2)ccc(C#N)c1=O
InChIInChI=1S/C15H10N2O/c1-2-10-17-14(12-6-4-3-5-7-12)9-8-13(11-16)15(17)18/h1,3-9H,10H2
InChIKeyYQHMVRMTTLILGZ-UHFFFAOYSA-N
MW234.26 g/mol
LogP2.02
Rot. Bonds2

About 2-oxo-6-phenyl-1-prop-2-ynylpyridine-3-carbonitrile

2-oxo-6-phenyl-1-prop-2-ynylpyridine-3-carbonitrile (PubChem CID 1488312) has the molecular formula C15H10N2O and a molecular weight of 234.26 g/mol. Its IUPAC name is 2-oxo-6-phenyl-1-prop-2-ynylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-oxo-6-phenyl-1-prop-2-ynylpyridine-3-carbonitrile
PubChem CID1488312
Molecular FormulaC15H10N2O
Molecular Weight234.26 g/mol
Exact Mass234.08
IUPAC Name2-oxo-6-phenyl-1-prop-2-ynylpyridine-3-carbonitrile
SMILESC#CCn1c(-c2ccccc2)ccc(C#N)c1=O
InChIInChI=1S/C15H10N2O/c1-2-10-17-14(12-6-4-3-5-7-12)9-8-13(11-16)15(17)18/h1,3-9H,10H2
InChIKeyYQHMVRMTTLILGZ-UHFFFAOYSA-N
XLogP2.02
TPSA45.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-oxo-6-phenyl-1-prop-2-ynylpyridine-3-carbonitrile?
The IUPAC name of 2-oxo-6-phenyl-1-prop-2-ynylpyridine-3-carbonitrile (CID 1488312) is 2-oxo-6-phenyl-1-prop-2-ynylpyridine-3-carbonitrile.
What is the SMILES notation for 2-oxo-6-phenyl-1-prop-2-ynylpyridine-3-carbonitrile?
The canonical SMILES for 2-oxo-6-phenyl-1-prop-2-ynylpyridine-3-carbonitrile is C#CCn1c(-c2ccccc2)ccc(C#N)c1=O.
What is the InChIKey of 2-oxo-6-phenyl-1-prop-2-ynylpyridine-3-carbonitrile?
The InChIKey is YQHMVRMTTLILGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N2O/c1-2-10-17-14(12-6-4-3-5-7-12)9-8-13(11-16)15(17)18/h1,3-9H,10H2.
What are the key properties of 2-oxo-6-phenyl-1-prop-2-ynylpyridine-3-carbonitrile?
2-oxo-6-phenyl-1-prop-2-ynylpyridine-3-carbonitrile has a molecular weight of 234.26 g/mol, XLogP of 2.02, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-6-phenyl-1-prop-2-ynylpyridine-3-carbonitrile is sourced from PubChem (CID 1488312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).