4-hydroxy-6-methyl-1-(pyridin-3-ylmethyl)pyridin-2-one

C12H12N2O2 — CID 54679301

IUPAC4-hydroxy-6-methyl-1-(pyridin-3-ylmethyl)pyridin-2-one
SMILESCc1cc(O)cc(=O)n1Cc1cccnc1
InChIInChI=1S/C12H12N2O2/c1-9-5-11(15)6-12(16)14(9)8-10-3-2-4-13-7-10/h2-7,15H,8H2,1H3
InChIKeyHBRVOTKOWJIXNJ-UHFFFAOYSA-N
MW216.24 g/mol
LogP1.31
Rot. Bonds2

About 4-hydroxy-6-methyl-1-(pyridin-3-ylmethyl)pyridin-2-one

4-hydroxy-6-methyl-1-(pyridin-3-ylmethyl)pyridin-2-one (PubChem CID 54679301) has the molecular formula C12H12N2O2 and a molecular weight of 216.24 g/mol. Its IUPAC name is 4-hydroxy-6-methyl-1-(pyridin-3-ylmethyl)pyridin-2-one.

Molecular Properties

Compound Name4-hydroxy-6-methyl-1-(pyridin-3-ylmethyl)pyridin-2-one
PubChem CID54679301
Molecular FormulaC12H12N2O2
Molecular Weight216.24 g/mol
Exact Mass216.09
IUPAC Name4-hydroxy-6-methyl-1-(pyridin-3-ylmethyl)pyridin-2-one
SMILESCc1cc(O)cc(=O)n1Cc1cccnc1
InChIInChI=1S/C12H12N2O2/c1-9-5-11(15)6-12(16)14(9)8-10-3-2-4-13-7-10/h2-7,15H,8H2,1H3
InChIKeyHBRVOTKOWJIXNJ-UHFFFAOYSA-N
XLogP1.31
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-6-methyl-1-(pyridin-3-ylmethyl)pyridin-2-one?
The IUPAC name of 4-hydroxy-6-methyl-1-(pyridin-3-ylmethyl)pyridin-2-one (CID 54679301) is 4-hydroxy-6-methyl-1-(pyridin-3-ylmethyl)pyridin-2-one.
What is the SMILES notation for 4-hydroxy-6-methyl-1-(pyridin-3-ylmethyl)pyridin-2-one?
The canonical SMILES for 4-hydroxy-6-methyl-1-(pyridin-3-ylmethyl)pyridin-2-one is Cc1cc(O)cc(=O)n1Cc1cccnc1.
What is the InChIKey of 4-hydroxy-6-methyl-1-(pyridin-3-ylmethyl)pyridin-2-one?
The InChIKey is HBRVOTKOWJIXNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2/c1-9-5-11(15)6-12(16)14(9)8-10-3-2-4-13-7-10/h2-7,15H,8H2,1H3.
What are the key properties of 4-hydroxy-6-methyl-1-(pyridin-3-ylmethyl)pyridin-2-one?
4-hydroxy-6-methyl-1-(pyridin-3-ylmethyl)pyridin-2-one has a molecular weight of 216.24 g/mol, XLogP of 1.31, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-6-methyl-1-(pyridin-3-ylmethyl)pyridin-2-one is sourced from PubChem (CID 54679301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).