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

C14H11Cl2NO3 — CID 110273391

IUPAC(1,2-dimethyl-6-oxo-4-pyridinyl) 2,4-dichlorobenzoate
SMILESCc1cc(OC(=O)c2ccc(Cl)cc2Cl)cc(=O)n1C
InChIInChI=1S/C14H11Cl2NO3/c1-8-5-10(7-13(18)17(8)2)20-14(19)11-4-3-9(15)6-12(11)16/h3-7H,1-2H3
InChIKeyURRBIPAOOAEZBR-UHFFFAOYSA-N
MW312.15 g/mol
LogP3.22
Rot. Bonds2

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

(1,2-dimethyl-6-oxo-4-pyridinyl) 2,4-dichlorobenzoate (PubChem CID 110273391) has the molecular formula C14H11Cl2NO3 and a molecular weight of 312.15 g/mol. Its IUPAC name is (1,2-dimethyl-6-oxo-4-pyridinyl) 2,4-dichlorobenzoate.

Molecular Properties

Compound Name(1,2-dimethyl-6-oxo-4-pyridinyl) 2,4-dichlorobenzoate
PubChem CID110273391
Molecular FormulaC14H11Cl2NO3
Molecular Weight312.15 g/mol
Exact Mass311.01
IUPAC Name(1,2-dimethyl-6-oxo-4-pyridinyl) 2,4-dichlorobenzoate
SMILESCc1cc(OC(=O)c2ccc(Cl)cc2Cl)cc(=O)n1C
InChIInChI=1S/C14H11Cl2NO3/c1-8-5-10(7-13(18)17(8)2)20-14(19)11-4-3-9(15)6-12(11)16/h3-7H,1-2H3
InChIKeyURRBIPAOOAEZBR-UHFFFAOYSA-N
XLogP3.22
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.15
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-6-(2,4-dichlorophenyl)-4-(dimethylamino)-2H-pyran-2-one
CID 2805944
6-Methyl-3-nitro-2-oxo-1,2-dihydropyridin-4-yl 2,4-dichlorobenzoate
CID 7150673
1,6-Dimethyl-2-oxo-1,2-dihydro-4-pyridinyl 2-chlorobenzoate
CID 824938
(1,2-Dimethyl-6-oxopyridin-4-yl) 4-chlorobenzoate
CID 824940
3-(Dimethylamino)propyl 2,4-dichlorobenzoate
CID 660864
4-Benzoyloxy-1,6-dimethyl-2(1h)-pyridone
CID 15355390
2-(Diethylamino)propyl 2,4-dichlorobenzoate
CID 52259
3-(Diethylamino)propyl 2,4-dichlorobenzoate hydrochloride
CID 3027465
2-(Diisopropylamino)ethyl 2,4-dichlorobenzoate hydrochloride
CID 3027473
3-(Dimethylamino)propyl 2,4-dichlorobenzoate chloride
CID 53314553
6-(2,4-Dichlorobenzoyloxy)-2-hydroxypyridine
CID 14049637
4-(2-Chlorobenzoyloxy)-2-pyridone
CID 14049666

Frequently Asked Questions

What is the IUPAC name of (1,2-dimethyl-6-oxo-4-pyridinyl) 2,4-dichlorobenzoate?
The IUPAC name of (1,2-dimethyl-6-oxo-4-pyridinyl) 2,4-dichlorobenzoate (CID 110273391) is (1,2-dimethyl-6-oxo-4-pyridinyl) 2,4-dichlorobenzoate.
What is the SMILES notation for (1,2-dimethyl-6-oxo-4-pyridinyl) 2,4-dichlorobenzoate?
The canonical SMILES for (1,2-dimethyl-6-oxo-4-pyridinyl) 2,4-dichlorobenzoate is Cc1cc(OC(=O)c2ccc(Cl)cc2Cl)cc(=O)n1C.
What is the InChIKey of (1,2-dimethyl-6-oxo-4-pyridinyl) 2,4-dichlorobenzoate?
The InChIKey is URRBIPAOOAEZBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2NO3/c1-8-5-10(7-13(18)17(8)2)20-14(19)11-4-3-9(15)6-12(11)16/h3-7H,1-2H3.
What are the key properties of (1,2-dimethyl-6-oxo-4-pyridinyl) 2,4-dichlorobenzoate?
(1,2-dimethyl-6-oxo-4-pyridinyl) 2,4-dichlorobenzoate has a molecular weight of 312.15 g/mol, XLogP of 3.22, 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) 2,4-dichlorobenzoate is sourced from PubChem (CID 110273391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).