3-[(2-chlorophenyl)-(4-hydroxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-4-hydroxy-6-methyl-1H-pyridin-2-one

C19H17ClN2O4 — CID 54686417

IUPAC3-[(2-chlorophenyl)-(4-hydroxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-4-hydroxy-6-methyl-1H-pyridin-2-one
SMILESCc1cc(O)c(C(c2ccccc2Cl)c2c(O)cc(C)[nH]c2=O)c(=O)[nH]1
InChIInChI=1S/C19H17ClN2O4/c1-9-7-13(23)16(18(25)21-9)15(11-5-3-4-6-12(11)20)17-14(24)8-10(2)22-19(17)26/h3-8,15H,1-2H3,(H2,21,23,25)(H2,22,24,26)
InChIKeyBZENKCSDFITFIW-UHFFFAOYSA-N
MW372.81 g/mol
LogP2.92
Rot. Bonds3

About 3-[(2-chlorophenyl)-(4-hydroxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-4-hydroxy-6-methyl-1H-pyridin-2-one

3-[(2-chlorophenyl)-(4-hydroxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-4-hydroxy-6-methyl-1H-pyridin-2-one (PubChem CID 54686417) has the molecular formula C19H17ClN2O4 and a molecular weight of 372.81 g/mol. Its IUPAC name is 3-[(2-chlorophenyl)-(4-hydroxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-4-hydroxy-6-methyl-1H-pyridin-2-one.

Molecular Properties

Compound Name3-[(2-chlorophenyl)-(4-hydroxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-4-hydroxy-6-methyl-1H-pyridin-2-one
PubChem CID54686417
Molecular FormulaC19H17ClN2O4
Molecular Weight372.81 g/mol
Exact Mass372.09
IUPAC Name3-[(2-chlorophenyl)-(4-hydroxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-4-hydroxy-6-methyl-1H-pyridin-2-one
SMILESCc1cc(O)c(C(c2ccccc2Cl)c2c(O)cc(C)[nH]c2=O)c(=O)[nH]1
InChIInChI=1S/C19H17ClN2O4/c1-9-7-13(23)16(18(25)21-9)15(11-5-3-4-6-12(11)20)17-14(24)8-10(2)22-19(17)26/h3-8,15H,1-2H3,(H2,21,23,25)(H2,22,24,26)
InChIKeyBZENKCSDFITFIW-UHFFFAOYSA-N
XLogP2.92
TPSA106.18 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.81
LogP ≤ 52.92
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 3-[(2-chlorophenyl)-(4-hydroxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-4-hydroxy-6-methyl-1H-pyridin-2-one with MolForge

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Related Compounds

3-[(2-fluorophenyl)-(4-hydroxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-4-hydroxy-6-methyl-1H-pyridin-2-one
CID 54703494
4-hydroxy-3-[(4-hydroxy-6-methyl-2-oxo-1H-pyridin-3-yl)-(4-hydroxyphenyl)methyl]-6-methyl-1H-pyridin-2-one
CID 54703490
3-(2-chlorophenyl)-4-hydroxy-6-methyl-1H-pyridin-2-one
CID 54719903
4-hydroxy-6-methyl-3-[(1S)-1-(methylamino)ethyl]-1H-pyridin-2-one
CID 130631562
4-hydroxy-3-[1-(4-hydroxy-2-methyl-6-oxo-1H-pyridin-3-yl)-3-phenylpropyl]-6-methyl-1H-pyridin-2-one
CID 54677322
3-(benzenesulfinyl)-4-hydroxy-6-methyl-1H-pyridin-2-one
CID 54704564
ethyl (3S)-3-(4-hydroxy-6-methyl-2-oxo-1H-pyridin-3-yl)-3-(3-hydroxyphenyl)propanoate
CID 95793166
2-chlorophenol;2-propan-2-ylphenol
CID 67592486
methyl (3R)-3-(4-hydroxy-6-methyl-2-oxo-1H-pyridin-3-yl)-3-(2-oxo-1H-quinolin-3-yl)propanoate
CID 95860230
4-[(2,3-dichlorophenyl)-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-5-methyl-1,2-dihydropyrazol-3-one
CID 139229933
methyl (3S)-3-(4-hydroxy-6-methyl-2-oxo-1H-pyridin-3-yl)-3-[2-(pyridin-2-ylmethoxy)phenyl]propanoate
CID 95860068
ethyl (3S)-3-(4-hydroxy-6-methyl-2-oxo-1H-pyridin-3-yl)-3-pyridin-3-ylpropanoate
CID 95859611

Frequently Asked Questions

What is the IUPAC name of 3-[(2-chlorophenyl)-(4-hydroxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-4-hydroxy-6-methyl-1H-pyridin-2-one?
The IUPAC name of 3-[(2-chlorophenyl)-(4-hydroxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-4-hydroxy-6-methyl-1H-pyridin-2-one (CID 54686417) is 3-[(2-chlorophenyl)-(4-hydroxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-4-hydroxy-6-methyl-1H-pyridin-2-one.
What is the SMILES notation for 3-[(2-chlorophenyl)-(4-hydroxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-4-hydroxy-6-methyl-1H-pyridin-2-one?
The canonical SMILES for 3-[(2-chlorophenyl)-(4-hydroxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-4-hydroxy-6-methyl-1H-pyridin-2-one is Cc1cc(O)c(C(c2ccccc2Cl)c2c(O)cc(C)[nH]c2=O)c(=O)[nH]1.
What is the InChIKey of 3-[(2-chlorophenyl)-(4-hydroxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-4-hydroxy-6-methyl-1H-pyridin-2-one?
The InChIKey is BZENKCSDFITFIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2O4/c1-9-7-13(23)16(18(25)21-9)15(11-5-3-4-6-12(11)20)17-14(24)8-10(2)22-19(17)26/h3-8,15H,1-2H3,(H2,21,23,25)(H2,22,24,26).
What are the key properties of 3-[(2-chlorophenyl)-(4-hydroxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-4-hydroxy-6-methyl-1H-pyridin-2-one?
3-[(2-chlorophenyl)-(4-hydroxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-4-hydroxy-6-methyl-1H-pyridin-2-one has a molecular weight of 372.81 g/mol, XLogP of 2.92, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chlorophenyl)-(4-hydroxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-4-hydroxy-6-methyl-1H-pyridin-2-one is sourced from PubChem (CID 54686417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).