ethyl 5-chloro-2-(6-oxo-1H-pyridin-2-yl)benzoate

C14H12ClNO3 — CID 122358417

IUPACethyl 5-chloro-2-(6-oxo-1H-pyridin-2-yl)benzoate
SMILESCCOC(=O)c1cc(Cl)ccc1-c1cccc(=O)[nH]1
InChIInChI=1S/C14H12ClNO3/c1-2-19-14(18)11-8-9(15)6-7-10(11)12-4-3-5-13(17)16-12/h3-8H,2H2,1H3,(H,16,17)
InChIKeyWIVCGJDPJSDARD-UHFFFAOYSA-N
MW277.71 g/mol
LogP2.87
Rot. Bonds3

About ethyl 5-chloro-2-(6-oxo-1H-pyridin-2-yl)benzoate

ethyl 5-chloro-2-(6-oxo-1H-pyridin-2-yl)benzoate (PubChem CID 122358417) has the molecular formula C14H12ClNO3 and a molecular weight of 277.71 g/mol. Its IUPAC name is ethyl 5-chloro-2-(6-oxo-1H-pyridin-2-yl)benzoate.

Molecular Properties

Compound Nameethyl 5-chloro-2-(6-oxo-1H-pyridin-2-yl)benzoate
PubChem CID122358417
Molecular FormulaC14H12ClNO3
Molecular Weight277.71 g/mol
Exact Mass277.05
IUPAC Nameethyl 5-chloro-2-(6-oxo-1H-pyridin-2-yl)benzoate
SMILESCCOC(=O)c1cc(Cl)ccc1-c1cccc(=O)[nH]1
InChIInChI=1S/C14H12ClNO3/c1-2-19-14(18)11-8-9(15)6-7-10(11)12-4-3-5-13(17)16-12/h3-8H,2H2,1H3,(H,16,17)
InChIKeyWIVCGJDPJSDARD-UHFFFAOYSA-N
XLogP2.87
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.71
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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1-O-(2,2-dimethylpropyl) 2-O-ethyl 4-chlorobenzene-1,2-dicarboxylate
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Frequently Asked Questions

What is the IUPAC name of ethyl 5-chloro-2-(6-oxo-1H-pyridin-2-yl)benzoate?
The IUPAC name of ethyl 5-chloro-2-(6-oxo-1H-pyridin-2-yl)benzoate (CID 122358417) is ethyl 5-chloro-2-(6-oxo-1H-pyridin-2-yl)benzoate.
What is the SMILES notation for ethyl 5-chloro-2-(6-oxo-1H-pyridin-2-yl)benzoate?
The canonical SMILES for ethyl 5-chloro-2-(6-oxo-1H-pyridin-2-yl)benzoate is CCOC(=O)c1cc(Cl)ccc1-c1cccc(=O)[nH]1.
What is the InChIKey of ethyl 5-chloro-2-(6-oxo-1H-pyridin-2-yl)benzoate?
The InChIKey is WIVCGJDPJSDARD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClNO3/c1-2-19-14(18)11-8-9(15)6-7-10(11)12-4-3-5-13(17)16-12/h3-8H,2H2,1H3,(H,16,17).
What are the key properties of ethyl 5-chloro-2-(6-oxo-1H-pyridin-2-yl)benzoate?
ethyl 5-chloro-2-(6-oxo-1H-pyridin-2-yl)benzoate has a molecular weight of 277.71 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-chloro-2-(6-oxo-1H-pyridin-2-yl)benzoate is sourced from PubChem (CID 122358417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).