1-hydroxy-1-phenyl-1-pyridin-2-ylpropan-2-one

C14H13NO2 — CID 142148920

IUPAC1-hydroxy-1-phenyl-1-pyridin-2-ylpropan-2-one
SMILESCC(=O)C(O)(c1ccccc1)c1ccccn1
InChIInChI=1S/C14H13NO2/c1-11(16)14(17,12-7-3-2-4-8-12)13-9-5-6-10-15-13/h2-10,17H,1H3
InChIKeyJHBOOXBCNKVSGM-UHFFFAOYSA-N
MW227.26 g/mol
LogP1.91
Rot. Bonds3

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

1-hydroxy-1-phenyl-1-pyridin-2-ylpropan-2-one (PubChem CID 142148920) has the molecular formula C14H13NO2 and a molecular weight of 227.26 g/mol. Its IUPAC name is 1-hydroxy-1-phenyl-1-pyridin-2-ylpropan-2-one.

Molecular Properties

Compound Name1-hydroxy-1-phenyl-1-pyridin-2-ylpropan-2-one
PubChem CID142148920
Molecular FormulaC14H13NO2
Molecular Weight227.26 g/mol
Exact Mass227.09
IUPAC Name1-hydroxy-1-phenyl-1-pyridin-2-ylpropan-2-one
SMILESCC(=O)C(O)(c1ccccc1)c1ccccn1
InChIInChI=1S/C14H13NO2/c1-11(16)14(17,12-7-3-2-4-8-12)13-9-5-6-10-15-13/h2-10,17H,1H3
InChIKeyJHBOOXBCNKVSGM-UHFFFAOYSA-N
XLogP1.91
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 162723245
CID 162723245
(1S)-2,2,2-trifluoro-1-phenyl-1-pyridin-2-ylethanol
CID 7018024
2,2-dimethylpropanoic acid;pyridin-2-amine
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Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-1-phenyl-1-pyridin-2-ylpropan-2-one?
The IUPAC name of 1-hydroxy-1-phenyl-1-pyridin-2-ylpropan-2-one (CID 142148920) is 1-hydroxy-1-phenyl-1-pyridin-2-ylpropan-2-one.
What is the SMILES notation for 1-hydroxy-1-phenyl-1-pyridin-2-ylpropan-2-one?
The canonical SMILES for 1-hydroxy-1-phenyl-1-pyridin-2-ylpropan-2-one is CC(=O)C(O)(c1ccccc1)c1ccccn1.
What is the InChIKey of 1-hydroxy-1-phenyl-1-pyridin-2-ylpropan-2-one?
The InChIKey is JHBOOXBCNKVSGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO2/c1-11(16)14(17,12-7-3-2-4-8-12)13-9-5-6-10-15-13/h2-10,17H,1H3.
What are the key properties of 1-hydroxy-1-phenyl-1-pyridin-2-ylpropan-2-one?
1-hydroxy-1-phenyl-1-pyridin-2-ylpropan-2-one has a molecular weight of 227.26 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-1-phenyl-1-pyridin-2-ylpropan-2-one is sourced from PubChem (CID 142148920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).