3-(2-chlorobenzoyl)-4-hydroxy-1,6-dimethylpyridin-2-one

C14H12ClNO3 — CID 137227903

IUPAC3-(2-chlorobenzoyl)-4-hydroxy-1,6-dimethylpyridin-2-one
SMILESCc1cc(O)c(C(=O)c2ccccc2Cl)c(=O)n1C
InChIInChI=1S/C14H12ClNO3/c1-8-7-11(17)12(14(19)16(8)2)13(18)9-5-3-4-6-10(9)15/h3-7,17H,1-2H3
InChIKeyXBJRBJIHGANBTP-UHFFFAOYSA-N
MW277.71 g/mol
LogP2.28
Rot. Bonds2

About 3-(2-chlorobenzoyl)-4-hydroxy-1,6-dimethylpyridin-2-one

3-(2-chlorobenzoyl)-4-hydroxy-1,6-dimethylpyridin-2-one (PubChem CID 137227903) has the molecular formula C14H12ClNO3 and a molecular weight of 277.71 g/mol. Its IUPAC name is 3-(2-chlorobenzoyl)-4-hydroxy-1,6-dimethylpyridin-2-one.

Molecular Properties

Compound Name3-(2-chlorobenzoyl)-4-hydroxy-1,6-dimethylpyridin-2-one
PubChem CID137227903
Molecular FormulaC14H12ClNO3
Molecular Weight277.71 g/mol
Exact Mass277.05
IUPAC Name3-(2-chlorobenzoyl)-4-hydroxy-1,6-dimethylpyridin-2-one
SMILESCc1cc(O)c(C(=O)c2ccccc2Cl)c(=O)n1C
InChIInChI=1S/C14H12ClNO3/c1-8-7-11(17)12(14(19)16(8)2)13(18)9-5-3-4-6-10(9)15/h3-7,17H,1-2H3
InChIKeyXBJRBJIHGANBTP-UHFFFAOYSA-N
XLogP2.28
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.71
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(furan-2-carbonyl)-4-hydroxy-1,6-dimethylpyridin-2-one
CID 135719130
(2-chlorophenyl)-(2,3,4,5,6-pentamethylphenyl)methanone
CID 43159787
[4-(2-chlorobenzoyl)-3,5-dimethylphenyl]-(2-chlorophenyl)methanone
CID 25138990
(2-chlorophenyl)-[4-(1,2,5-trimethylpyrrole-3-carbonyl)piperazin-1-yl]methanone
CID 110802824
3-(2-chlorobenzoyl)-2-methylazulene-1-carboxylic acid
CID 139771641
(2-chlorophenyl)-(4-hydroxy-2-methylphenyl)methanone
CID 86254780
(2-chlorophenyl)-(1-methyl-2-phenylindol-3-yl)methanone
CID 154119569
5-hydroxy-2,3-dimethylisoquinolin-1-one
CID 115063617
[4-(2-chlorobenzoyl)-1,3-dimethylpyrazol-5-yl] methyl carbonate
CID 12912180
methyl 2-[(1,4,6-trimethyl-2-oxopyridine-3-carbonyl)amino]benzoate
CID 110861610
(2-chlorophenyl)-[5-(4,5-dimethylimidazol-1-yl)-1,3-dimethylpyrazol-4-yl]methanone
CID 70448869
4-hydroxy-1,6-dimethyl-3-(phenyliminomethyl)pyridin-2-one
CID 137227914

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorobenzoyl)-4-hydroxy-1,6-dimethylpyridin-2-one?
The IUPAC name of 3-(2-chlorobenzoyl)-4-hydroxy-1,6-dimethylpyridin-2-one (CID 137227903) is 3-(2-chlorobenzoyl)-4-hydroxy-1,6-dimethylpyridin-2-one.
What is the SMILES notation for 3-(2-chlorobenzoyl)-4-hydroxy-1,6-dimethylpyridin-2-one?
The canonical SMILES for 3-(2-chlorobenzoyl)-4-hydroxy-1,6-dimethylpyridin-2-one is Cc1cc(O)c(C(=O)c2ccccc2Cl)c(=O)n1C.
What is the InChIKey of 3-(2-chlorobenzoyl)-4-hydroxy-1,6-dimethylpyridin-2-one?
The InChIKey is XBJRBJIHGANBTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClNO3/c1-8-7-11(17)12(14(19)16(8)2)13(18)9-5-3-4-6-10(9)15/h3-7,17H,1-2H3.
What are the key properties of 3-(2-chlorobenzoyl)-4-hydroxy-1,6-dimethylpyridin-2-one?
3-(2-chlorobenzoyl)-4-hydroxy-1,6-dimethylpyridin-2-one has a molecular weight of 277.71 g/mol, XLogP of 2.28, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorobenzoyl)-4-hydroxy-1,6-dimethylpyridin-2-one is sourced from PubChem (CID 137227903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).