(5-chloro-2-oxo-1H-pyridin-4-yl) 4-chlorobenzoate

C12H7Cl2NO3 — CID 14049657

IUPAC(5-chloro-2-oxo-1H-pyridin-4-yl) 4-chlorobenzoate
SMILESO=C(Oc1cc(=O)[nH]cc1Cl)c1ccc(Cl)cc1
InChIInChI=1S/C12H7Cl2NO3/c13-8-3-1-7(2-4-8)12(17)18-10-5-11(16)15-6-9(10)14/h1-6H,(H,15,16)
InChIKeyVKYHDETUXSCBAM-UHFFFAOYSA-N
MW284.10 g/mol
LogP2.90
Rot. Bonds2

About (5-chloro-2-oxo-1H-pyridin-4-yl) 4-chlorobenzoate

(5-chloro-2-oxo-1H-pyridin-4-yl) 4-chlorobenzoate (PubChem CID 14049657) has the molecular formula C12H7Cl2NO3 and a molecular weight of 284.10 g/mol. Its IUPAC name is (5-chloro-2-oxo-1H-pyridin-4-yl) 4-chlorobenzoate.

Molecular Properties

Compound Name(5-chloro-2-oxo-1H-pyridin-4-yl) 4-chlorobenzoate
PubChem CID14049657
Molecular FormulaC12H7Cl2NO3
Molecular Weight284.10 g/mol
Exact Mass282.98
IUPAC Name(5-chloro-2-oxo-1H-pyridin-4-yl) 4-chlorobenzoate
SMILESO=C(Oc1cc(=O)[nH]cc1Cl)c1ccc(Cl)cc1
InChIInChI=1S/C12H7Cl2NO3/c13-8-3-1-7(2-4-8)12(17)18-10-5-11(16)15-6-9(10)14/h1-6H,(H,15,16)
InChIKeyVKYHDETUXSCBAM-UHFFFAOYSA-N
XLogP2.90
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.10
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (5-chloro-2-oxo-1H-pyridin-4-yl) 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

(2-oxo-1H-pyridin-3-yl) 3-chlorobenzoate
CID 324319
(1,2-Dimethyl-6-oxopyridin-4-yl) 4-chlorobenzoate
CID 824940
5-Chloro-2-oxo-1,2-dihydropyridin-4-yl benzoate
CID 14049646
6-(2,4-Dichlorobenzoyloxy)-2-hydroxypyridine
CID 14049637
(5-chloro-2-oxo-1H-pyridin-4-yl) 3-methylbenzoate
CID 14049643
5-Chloro-4-phenylacetyloxy-2-pyridone
CID 14049650
4-Benzoyloxy-2-pyridone
CID 14049662
4-(2-Chlorobenzoyloxy)-2-pyridone
CID 14049666
(5-bromo-2-oxo-1H-pyridin-4-yl) benzoate
CID 14049677
(5-chloro-2-oxo-1H-pyridin-4-yl) 2-methylbenzoate
CID 19815240
4-[(4-Chlorophenyl)methoxy]pyridin-2(1H)-one
CID 57497864
(5-chloro-3-iodo-2-oxo-1H-pyridin-4-yl)methyl benzoate
CID 68987791

Frequently Asked Questions

What is the IUPAC name of (5-chloro-2-oxo-1H-pyridin-4-yl) 4-chlorobenzoate?
The IUPAC name of (5-chloro-2-oxo-1H-pyridin-4-yl) 4-chlorobenzoate (CID 14049657) is (5-chloro-2-oxo-1H-pyridin-4-yl) 4-chlorobenzoate.
What is the SMILES notation for (5-chloro-2-oxo-1H-pyridin-4-yl) 4-chlorobenzoate?
The canonical SMILES for (5-chloro-2-oxo-1H-pyridin-4-yl) 4-chlorobenzoate is O=C(Oc1cc(=O)[nH]cc1Cl)c1ccc(Cl)cc1.
What is the InChIKey of (5-chloro-2-oxo-1H-pyridin-4-yl) 4-chlorobenzoate?
The InChIKey is VKYHDETUXSCBAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Cl2NO3/c13-8-3-1-7(2-4-8)12(17)18-10-5-11(16)15-6-9(10)14/h1-6H,(H,15,16).
What are the key properties of (5-chloro-2-oxo-1H-pyridin-4-yl) 4-chlorobenzoate?
(5-chloro-2-oxo-1H-pyridin-4-yl) 4-chlorobenzoate has a molecular weight of 284.10 g/mol, XLogP of 2.90, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2-oxo-1H-pyridin-4-yl) 4-chlorobenzoate is sourced from PubChem (CID 14049657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).