(1,2-dimethyl-6-oxo-4-pyridinyl) 4-chlorobenzoate

C14H12ClNO3 — CID 824940

IUPAC(1,2-dimethyl-6-oxo-4-pyridinyl) 4-chlorobenzoate
SMILESCc1cc(OC(=O)c2ccc(Cl)cc2)cc(=O)n1C
InChIInChI=1S/C14H12ClNO3/c1-9-7-12(8-13(17)16(9)2)19-14(18)10-3-5-11(15)6-4-10/h3-8H,1-2H3
InChIKeyGPTPDPLFMQYHGL-UHFFFAOYSA-N
MW277.71 g/mol
LogP2.57
Rot. Bonds2

About (1,2-dimethyl-6-oxo-4-pyridinyl) 4-chlorobenzoate

(1,2-dimethyl-6-oxo-4-pyridinyl) 4-chlorobenzoate (PubChem CID 824940) has the molecular formula C14H12ClNO3 and a molecular weight of 277.71 g/mol. Its IUPAC name is (1,2-dimethyl-6-oxo-4-pyridinyl) 4-chlorobenzoate.

Molecular Properties

Compound Name(1,2-dimethyl-6-oxo-4-pyridinyl) 4-chlorobenzoate
PubChem CID824940
Molecular FormulaC14H12ClNO3
Molecular Weight277.71 g/mol
Exact Mass277.05
IUPAC Name(1,2-dimethyl-6-oxo-4-pyridinyl) 4-chlorobenzoate
SMILESCc1cc(OC(=O)c2ccc(Cl)cc2)cc(=O)n1C
InChIInChI=1S/C14H12ClNO3/c1-9-7-12(8-13(17)16(9)2)19-14(18)10-3-5-11(15)6-4-10/h3-8H,1-2H3
InChIKeyGPTPDPLFMQYHGL-UHFFFAOYSA-N
XLogP2.57
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.71
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (1,2-dimethyl-6-oxo-4-pyridinyl) 4-chlorobenzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,6-Dimethyl-2-oxo-1,2-dihydro-4-pyridinyl 2-chlorobenzoate
CID 824938
1,6-Dimethyl-2-oxo-1,2-dihydro-4-pyridinyl 4-methylbenzoate
CID 824943
6-(4-Chlorophenyl)-4-(dimethylamino)pyran-2-one
CID 85566270
4-Benzoyloxy-1,6-dimethyl-2(1h)-pyridone
CID 15355390
1,6-Dimethyl-2-oxo-1,2-dihydro-4-pyridinyl 2-methylbenzoate
CID 91824334
4-(2,4-Dichlorobenzoyloxy)-1,6-dimethyl-2(1h)-pyridone
CID 110273391
6-Methyl-3-nitro-2-oxo-1,2-dihydropyridin-4-yl 4-chlorobenzoate
CID 7150666
1,3-[3H]-Oxazine-2,6-dione, 3-methyl-6-(4-chlorophenyl)-
CID 587443
2H-Pyran-2-one, 6-(4-chlorophenyl)-4-(diethylamino)-5-methyl-3-phenyl-
CID 587531
(5-chloro-2-oxo-1H-pyridin-4-yl) 4-chlorobenzoate
CID 14049657
4-(2-Chlorobenzoyloxy)-2-pyridone
CID 14049666
1-(Diethylcarbamoyloxy)propan-2-yl 4-chlorobenzoate
CID 117942378

Frequently Asked Questions

What is the IUPAC name of (1,2-dimethyl-6-oxo-4-pyridinyl) 4-chlorobenzoate?
The IUPAC name of (1,2-dimethyl-6-oxo-4-pyridinyl) 4-chlorobenzoate (CID 824940) is (1,2-dimethyl-6-oxo-4-pyridinyl) 4-chlorobenzoate.
What is the SMILES notation for (1,2-dimethyl-6-oxo-4-pyridinyl) 4-chlorobenzoate?
The canonical SMILES for (1,2-dimethyl-6-oxo-4-pyridinyl) 4-chlorobenzoate is Cc1cc(OC(=O)c2ccc(Cl)cc2)cc(=O)n1C.
What is the InChIKey of (1,2-dimethyl-6-oxo-4-pyridinyl) 4-chlorobenzoate?
The InChIKey is GPTPDPLFMQYHGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClNO3/c1-9-7-12(8-13(17)16(9)2)19-14(18)10-3-5-11(15)6-4-10/h3-8H,1-2H3.
What are the key properties of (1,2-dimethyl-6-oxo-4-pyridinyl) 4-chlorobenzoate?
(1,2-dimethyl-6-oxo-4-pyridinyl) 4-chlorobenzoate has a molecular weight of 277.71 g/mol, XLogP of 2.57, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1,2-dimethyl-6-oxo-4-pyridinyl) 4-chlorobenzoate is sourced from PubChem (CID 824940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).