1-phenyl-2-pyridin-3-ylpropan-1-one

C14H13NO — CID 11356288

IUPAC1-phenyl-2-pyridin-3-ylpropan-1-one
SMILESCC(C(=O)c1ccccc1)c1cccnc1
InChIInChI=1S/C14H13NO/c1-11(13-8-5-9-15-10-13)14(16)12-6-3-2-4-7-12/h2-11H,1H3
InChIKeyNFHIPZYAYZPXJE-UHFFFAOYSA-N
MW211.26 g/mol
LogP3.07
Rot. Bonds3

About 1-phenyl-2-pyridin-3-ylpropan-1-one

1-phenyl-2-pyridin-3-ylpropan-1-one (PubChem CID 11356288) has the molecular formula C14H13NO and a molecular weight of 211.26 g/mol. Its IUPAC name is 1-phenyl-2-pyridin-3-ylpropan-1-one.

Molecular Properties

Compound Name1-phenyl-2-pyridin-3-ylpropan-1-one
PubChem CID11356288
Molecular FormulaC14H13NO
Molecular Weight211.26 g/mol
Exact Mass211.10
IUPAC Name1-phenyl-2-pyridin-3-ylpropan-1-one
SMILESCC(C(=O)c1ccccc1)c1cccnc1
InChIInChI=1S/C14H13NO/c1-11(13-8-5-9-15-10-13)14(16)12-6-3-2-4-7-12/h2-11H,1H3
InChIKeyNFHIPZYAYZPXJE-UHFFFAOYSA-N
XLogP3.07
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-2-pyridin-3-ylpropan-1-one?
The IUPAC name of 1-phenyl-2-pyridin-3-ylpropan-1-one (CID 11356288) is 1-phenyl-2-pyridin-3-ylpropan-1-one.
What is the SMILES notation for 1-phenyl-2-pyridin-3-ylpropan-1-one?
The canonical SMILES for 1-phenyl-2-pyridin-3-ylpropan-1-one is CC(C(=O)c1ccccc1)c1cccnc1.
What is the InChIKey of 1-phenyl-2-pyridin-3-ylpropan-1-one?
The InChIKey is NFHIPZYAYZPXJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO/c1-11(13-8-5-9-15-10-13)14(16)12-6-3-2-4-7-12/h2-11H,1H3.
What are the key properties of 1-phenyl-2-pyridin-3-ylpropan-1-one?
1-phenyl-2-pyridin-3-ylpropan-1-one has a molecular weight of 211.26 g/mol, XLogP of 3.07, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-2-pyridin-3-ylpropan-1-one is sourced from PubChem (CID 11356288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).