2-[hydroxy(phenyl)methyl]-1H-pyridin-4-one

C12H11NO2 — CID 140976756

IUPAC2-[hydroxy(phenyl)methyl]-1H-pyridin-4-one
SMILESO=c1cc[nH]c(C(O)c2ccccc2)c1
InChIInChI=1S/C12H11NO2/c14-10-6-7-13-11(8-10)12(15)9-4-2-1-3-5-9/h1-8,12,15H,(H,13,14)
InChIKeyDDNNHBVCBOPRCY-UHFFFAOYSA-N
MW201.22 g/mol
LogP1.46
Rot. Bonds2

About 2-[hydroxy(phenyl)methyl]-1H-pyridin-4-one

2-[hydroxy(phenyl)methyl]-1H-pyridin-4-one (PubChem CID 140976756) has the molecular formula C12H11NO2 and a molecular weight of 201.22 g/mol. Its IUPAC name is 2-[hydroxy(phenyl)methyl]-1H-pyridin-4-one.

Molecular Properties

Compound Name2-[hydroxy(phenyl)methyl]-1H-pyridin-4-one
PubChem CID140976756
Molecular FormulaC12H11NO2
Molecular Weight201.22 g/mol
Exact Mass201.08
IUPAC Name2-[hydroxy(phenyl)methyl]-1H-pyridin-4-one
SMILESO=c1cc[nH]c(C(O)c2ccccc2)c1
InChIInChI=1S/C12H11NO2/c14-10-6-7-13-11(8-10)12(15)9-4-2-1-3-5-9/h1-8,12,15H,(H,13,14)
InChIKeyDDNNHBVCBOPRCY-UHFFFAOYSA-N
XLogP1.46
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[hydroxy(phenyl)methyl]-1H-pyridin-4-one?
The IUPAC name of 2-[hydroxy(phenyl)methyl]-1H-pyridin-4-one (CID 140976756) is 2-[hydroxy(phenyl)methyl]-1H-pyridin-4-one.
What is the SMILES notation for 2-[hydroxy(phenyl)methyl]-1H-pyridin-4-one?
The canonical SMILES for 2-[hydroxy(phenyl)methyl]-1H-pyridin-4-one is O=c1cc[nH]c(C(O)c2ccccc2)c1.
What is the InChIKey of 2-[hydroxy(phenyl)methyl]-1H-pyridin-4-one?
The InChIKey is DDNNHBVCBOPRCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO2/c14-10-6-7-13-11(8-10)12(15)9-4-2-1-3-5-9/h1-8,12,15H,(H,13,14).
What are the key properties of 2-[hydroxy(phenyl)methyl]-1H-pyridin-4-one?
2-[hydroxy(phenyl)methyl]-1H-pyridin-4-one has a molecular weight of 201.22 g/mol, XLogP of 1.46, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[hydroxy(phenyl)methyl]-1H-pyridin-4-one is sourced from PubChem (CID 140976756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).