[2-(2-methoxyphenyl)-2-oxoethyl] 2-chloropyridine-3-carboxylate

C15H12ClNO4 — CID 7867502

IUPAC[2-(2-methoxyphenyl)-2-oxoethyl] 2-chloropyridine-3-carboxylate
SMILESCOc1ccccc1C(=O)COC(=O)c1cccnc1Cl
InChIInChI=1S/C15H12ClNO4/c1-20-13-7-3-2-5-10(13)12(18)9-21-15(19)11-6-4-8-17-14(11)16/h2-8H,9H2,1H3
InChIKeyLWUMXLNWRNFZEW-UHFFFAOYSA-N
MW305.72 g/mol
LogP2.78
Rot. Bonds5

About [2-(2-methoxyphenyl)-2-oxoethyl] 2-chloropyridine-3-carboxylate

[2-(2-methoxyphenyl)-2-oxoethyl] 2-chloropyridine-3-carboxylate (PubChem CID 7867502) has the molecular formula C15H12ClNO4 and a molecular weight of 305.72 g/mol. Its IUPAC name is [2-(2-methoxyphenyl)-2-oxoethyl] 2-chloropyridine-3-carboxylate.

Molecular Properties

Compound Name[2-(2-methoxyphenyl)-2-oxoethyl] 2-chloropyridine-3-carboxylate
PubChem CID7867502
Molecular FormulaC15H12ClNO4
Molecular Weight305.72 g/mol
Exact Mass305.05
IUPAC Name[2-(2-methoxyphenyl)-2-oxoethyl] 2-chloropyridine-3-carboxylate
SMILESCOc1ccccc1C(=O)COC(=O)c1cccnc1Cl
InChIInChI=1S/C15H12ClNO4/c1-20-13-7-3-2-5-10(13)12(18)9-21-15(19)11-6-4-8-17-14(11)16/h2-8H,9H2,1H3
InChIKeyLWUMXLNWRNFZEW-UHFFFAOYSA-N
XLogP2.78
TPSA65.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.72
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

[2-(2-methoxyphenyl)-2-oxoethyl] 2-methoxybenzoate
CID 7811189
[2-(2,5-dimethylphenyl)-2-oxoethyl] 2-chloropyridine-3-carboxylate
CID 2515362
[2-[2-(2-methoxyphenoxy)ethylamino]-2-oxoethyl] 2-chloropyridine-3-carboxylate
CID 9013762
[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl] 2-chloropyridine-3-carboxylate
CID 9013830
[3-(2-chloropyridine-3-carbonyl)oxy-2-oxopropyl] 2-chloropyridine-3-carboxylate
CID 2435270
[2-(2-methoxyphenyl)-2-oxoethyl] 4-methoxynaphthalene-1-carboxylate
CID 8596344
[2-(2-methoxyphenyl)-2-oxoethyl] 2-hydroxy-5-methoxybenzoate
CID 18155883
[2-(2-methoxyphenyl)-2-oxoethyl] 2-(phenoxymethyl)benzoate
CID 7949326
[2-(2-methoxyphenyl)-2-oxoethyl] 5-methylpyrazine-2-carboxylate
CID 8634442
[2-oxo-2-(propan-2-ylamino)ethyl] 2-chloropyridine-3-carboxylate
CID 2428089
[2-(2-methoxyphenyl)-2-oxoethyl] 4-bromobenzoate
CID 2357062
[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] 2-methoxybenzoate
CID 40565888

Frequently Asked Questions

What is the IUPAC name of [2-(2-methoxyphenyl)-2-oxoethyl] 2-chloropyridine-3-carboxylate?
The IUPAC name of [2-(2-methoxyphenyl)-2-oxoethyl] 2-chloropyridine-3-carboxylate (CID 7867502) is [2-(2-methoxyphenyl)-2-oxoethyl] 2-chloropyridine-3-carboxylate.
What is the SMILES notation for [2-(2-methoxyphenyl)-2-oxoethyl] 2-chloropyridine-3-carboxylate?
The canonical SMILES for [2-(2-methoxyphenyl)-2-oxoethyl] 2-chloropyridine-3-carboxylate is COc1ccccc1C(=O)COC(=O)c1cccnc1Cl.
What is the InChIKey of [2-(2-methoxyphenyl)-2-oxoethyl] 2-chloropyridine-3-carboxylate?
The InChIKey is LWUMXLNWRNFZEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClNO4/c1-20-13-7-3-2-5-10(13)12(18)9-21-15(19)11-6-4-8-17-14(11)16/h2-8H,9H2,1H3.
What are the key properties of [2-(2-methoxyphenyl)-2-oxoethyl] 2-chloropyridine-3-carboxylate?
[2-(2-methoxyphenyl)-2-oxoethyl] 2-chloropyridine-3-carboxylate has a molecular weight of 305.72 g/mol, XLogP of 2.78, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methoxyphenyl)-2-oxoethyl] 2-chloropyridine-3-carboxylate is sourced from PubChem (CID 7867502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).