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

C14H12ClNO3 — CID 824938

IUPAC(1,2-dimethyl-6-oxo-4-pyridinyl) 2-chlorobenzoate
SMILESCc1cc(OC(=O)c2ccccc2Cl)cc(=O)n1C
InChIInChI=1S/C14H12ClNO3/c1-9-7-10(8-13(17)16(9)2)19-14(18)11-5-3-4-6-12(11)15/h3-8H,1-2H3
InChIKeyKEUSYJXOEXEMSW-UHFFFAOYSA-N
MW277.71 g/mol
LogP2.57
Rot. Bonds2

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

(1,2-dimethyl-6-oxo-4-pyridinyl) 2-chlorobenzoate (PubChem CID 824938) 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) 2-chlorobenzoate.

Molecular Properties

Compound Name(1,2-dimethyl-6-oxo-4-pyridinyl) 2-chlorobenzoate
PubChem CID824938
Molecular FormulaC14H12ClNO3
Molecular Weight277.71 g/mol
Exact Mass277.05
IUPAC Name(1,2-dimethyl-6-oxo-4-pyridinyl) 2-chlorobenzoate
SMILESCc1cc(OC(=O)c2ccccc2Cl)cc(=O)n1C
InChIInChI=1S/C14H12ClNO3/c1-9-7-10(8-13(17)16(9)2)19-14(18)11-5-3-4-6-12(11)15/h3-8H,1-2H3
InChIKeyKEUSYJXOEXEMSW-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

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Related Compounds

6-Methyl-3-nitro-2-oxo-1,2-dihydropyridin-4-yl 2-chlorobenzoate
CID 7150664
(1,2-Dimethyl-6-oxopyridin-4-yl) 4-chlorobenzoate
CID 824940
1,6-Dimethyl-2-oxo-1,2-dihydro-4-pyridinyl 4-methylbenzoate
CID 824943
[3-(Dimethylamino)-3-oxopropyl] 2-chlorobenzoate
CID 72023314
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
[2-[Di(propan-2-yl)amino]-2-oxoethyl] 2-chlorobenzoate
CID 2410770
4-(2-Chlorobenzoyloxy)-2-pyridone
CID 14049666
[(Z)-2-cyano-1-(2,6-dichlorophenyl)-3-(dimethylamino)-3-oxoprop-1-enyl] 2,6-dichlorobenzoate
CID 21285955
[(Z)-1-(2-chlorophenyl)-2-cyano-3-(dimethylamino)-3-oxoprop-1-enyl] 2-chlorobenzoate
CID 21286044
[2-Cyano-1-(2,6-dichlorophenyl)-3-(dimethylamino)-3-oxoprop-1-enyl] 2,6-dichlorobenzoate
CID 53653513

Frequently Asked Questions

What is the IUPAC name of (1,2-dimethyl-6-oxo-4-pyridinyl) 2-chlorobenzoate?
The IUPAC name of (1,2-dimethyl-6-oxo-4-pyridinyl) 2-chlorobenzoate (CID 824938) is (1,2-dimethyl-6-oxo-4-pyridinyl) 2-chlorobenzoate.
What is the SMILES notation for (1,2-dimethyl-6-oxo-4-pyridinyl) 2-chlorobenzoate?
The canonical SMILES for (1,2-dimethyl-6-oxo-4-pyridinyl) 2-chlorobenzoate is Cc1cc(OC(=O)c2ccccc2Cl)cc(=O)n1C.
What is the InChIKey of (1,2-dimethyl-6-oxo-4-pyridinyl) 2-chlorobenzoate?
The InChIKey is KEUSYJXOEXEMSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClNO3/c1-9-7-10(8-13(17)16(9)2)19-14(18)11-5-3-4-6-12(11)15/h3-8H,1-2H3.
What are the key properties of (1,2-dimethyl-6-oxo-4-pyridinyl) 2-chlorobenzoate?
(1,2-dimethyl-6-oxo-4-pyridinyl) 2-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) 2-chlorobenzoate is sourced from PubChem (CID 824938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).