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

C12H8ClNO3 — CID 14049666

IUPAC(2-oxo-1H-pyridin-4-yl) 2-chlorobenzoate
SMILESO=C(Oc1cc[nH]c(=O)c1)c1ccccc1Cl
InChIInChI=1S/C12H8ClNO3/c13-10-4-2-1-3-9(10)12(16)17-8-5-6-14-11(15)7-8/h1-7H,(H,14,15)
InChIKeyQAJPGFYNNLJTCJ-UHFFFAOYSA-N
MW249.65 g/mol
LogP2.25
Rot. Bonds2

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

(2-oxo-1H-pyridin-4-yl) 2-chlorobenzoate (PubChem CID 14049666) has the molecular formula C12H8ClNO3 and a molecular weight of 249.65 g/mol. Its IUPAC name is (2-oxo-1H-pyridin-4-yl) 2-chlorobenzoate.

Molecular Properties

Compound Name(2-oxo-1H-pyridin-4-yl) 2-chlorobenzoate
PubChem CID14049666
Molecular FormulaC12H8ClNO3
Molecular Weight249.65 g/mol
Exact Mass249.02
IUPAC Name(2-oxo-1H-pyridin-4-yl) 2-chlorobenzoate
SMILESO=C(Oc1cc[nH]c(=O)c1)c1ccccc1Cl
InChIInChI=1S/C12H8ClNO3/c13-10-4-2-1-3-9(10)12(16)17-8-5-6-14-11(15)7-8/h1-7H,(H,14,15)
InChIKeyQAJPGFYNNLJTCJ-UHFFFAOYSA-N
XLogP2.25
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.65
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-oxo-1H-pyridin-3-yl) 3-chlorobenzoate
CID 324319
(2-oxo-1H-pyridin-3-yl) benzoate
CID 320594
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
5-Chloro-2-oxo-1,2-dihydropyridin-4-yl benzoate
CID 14049646
4-(2,4-Dichlorobenzoyloxy)-1,6-dimethyl-2(1h)-pyridone
CID 110273391
3-Acetamidopropyl 2-chloro-3-fluorobenzoate
CID 71988086
methyl 2-chloro-5-fluoro-3-(6-oxo-1H-pyridin-3-yl)benzoate
CID 169717260
[2-(Methylamino)-2-oxoethyl] 2-chlorobenzoate
CID 2397954
2,4-Pyridinediol, 5-chloro-, 2-benzoate
CID 14049613
6-(2-Chlorobenzoyloxy)-3-cyano-2-hydroxypyridine
CID 14049633
6-(2,4-Dichlorobenzoyloxy)-2-hydroxypyridine
CID 14049637

Frequently Asked Questions

What is the IUPAC name of (2-oxo-1H-pyridin-4-yl) 2-chlorobenzoate?
The IUPAC name of (2-oxo-1H-pyridin-4-yl) 2-chlorobenzoate (CID 14049666) is (2-oxo-1H-pyridin-4-yl) 2-chlorobenzoate.
What is the SMILES notation for (2-oxo-1H-pyridin-4-yl) 2-chlorobenzoate?
The canonical SMILES for (2-oxo-1H-pyridin-4-yl) 2-chlorobenzoate is O=C(Oc1cc[nH]c(=O)c1)c1ccccc1Cl.
What is the InChIKey of (2-oxo-1H-pyridin-4-yl) 2-chlorobenzoate?
The InChIKey is QAJPGFYNNLJTCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClNO3/c13-10-4-2-1-3-9(10)12(16)17-8-5-6-14-11(15)7-8/h1-7H,(H,14,15).
What are the key properties of (2-oxo-1H-pyridin-4-yl) 2-chlorobenzoate?
(2-oxo-1H-pyridin-4-yl) 2-chlorobenzoate has a molecular weight of 249.65 g/mol, XLogP of 2.25, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-1H-pyridin-4-yl) 2-chlorobenzoate is sourced from PubChem (CID 14049666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).