2-phenyl-1-pyridin-4-ylethanone

C13H11NO — CID 11041704

IUPAC2-phenyl-1-pyridin-4-ylethanone
SMILESO=C(Cc1ccccc1)c1ccncc1
InChIInChI=1S/C13H11NO/c15-13(12-6-8-14-9-7-12)10-11-4-2-1-3-5-11/h1-9H,10H2
InChIKeySZKXYKRLZRYFMJ-UHFFFAOYSA-N
MW197.24 g/mol
LogP2.51
Rot. Bonds3

About 2-phenyl-1-pyridin-4-ylethanone

2-phenyl-1-pyridin-4-ylethanone (PubChem CID 11041704) has the molecular formula C13H11NO and a molecular weight of 197.24 g/mol. Its IUPAC name is 2-phenyl-1-pyridin-4-ylethanone.

Molecular Properties

Compound Name2-phenyl-1-pyridin-4-ylethanone
PubChem CID11041704
Molecular FormulaC13H11NO
Molecular Weight197.24 g/mol
Exact Mass197.08
IUPAC Name2-phenyl-1-pyridin-4-ylethanone
SMILESO=C(Cc1ccccc1)c1ccncc1
InChIInChI=1S/C13H11NO/c15-13(12-6-8-14-9-7-12)10-11-4-2-1-3-5-11/h1-9H,10H2
InChIKeySZKXYKRLZRYFMJ-UHFFFAOYSA-N
XLogP2.51
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-1-pyridin-4-ylethanone?
The IUPAC name of 2-phenyl-1-pyridin-4-ylethanone (CID 11041704) is 2-phenyl-1-pyridin-4-ylethanone.
What is the SMILES notation for 2-phenyl-1-pyridin-4-ylethanone?
The canonical SMILES for 2-phenyl-1-pyridin-4-ylethanone is O=C(Cc1ccccc1)c1ccncc1.
What is the InChIKey of 2-phenyl-1-pyridin-4-ylethanone?
The InChIKey is SZKXYKRLZRYFMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO/c15-13(12-6-8-14-9-7-12)10-11-4-2-1-3-5-11/h1-9H,10H2.
What are the key properties of 2-phenyl-1-pyridin-4-ylethanone?
2-phenyl-1-pyridin-4-ylethanone has a molecular weight of 197.24 g/mol, XLogP of 2.51, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-1-pyridin-4-ylethanone is sourced from PubChem (CID 11041704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).