[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 4-chloropyridine-2-carboxylate

C15H11ClFNO4 — CID 8588920

IUPAC[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 4-chloropyridine-2-carboxylate
SMILESCOc1ccc(C(=O)COC(=O)c2cc(Cl)ccn2)cc1F
InChIInChI=1S/C15H11ClFNO4/c1-21-14-3-2-9(6-11(14)17)13(19)8-22-15(20)12-7-10(16)4-5-18-12/h2-7H,8H2,1H3
InChIKeyVWPZERZIINCQER-UHFFFAOYSA-N
MW323.71 g/mol
LogP2.92
Rot. Bonds5

About [2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 4-chloropyridine-2-carboxylate

[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 4-chloropyridine-2-carboxylate (PubChem CID 8588920) has the molecular formula C15H11ClFNO4 and a molecular weight of 323.71 g/mol. Its IUPAC name is [2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 4-chloropyridine-2-carboxylate.

Molecular Properties

Compound Name[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 4-chloropyridine-2-carboxylate
PubChem CID8588920
Molecular FormulaC15H11ClFNO4
Molecular Weight323.71 g/mol
Exact Mass323.04
IUPAC Name[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 4-chloropyridine-2-carboxylate
SMILESCOc1ccc(C(=O)COC(=O)c2cc(Cl)ccn2)cc1F
InChIInChI=1S/C15H11ClFNO4/c1-21-14-3-2-9(6-11(14)17)13(19)8-22-15(20)12-7-10(16)4-5-18-12/h2-7H,8H2,1H3
InChIKeyVWPZERZIINCQER-UHFFFAOYSA-N
XLogP2.92
TPSA65.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.71
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 5-methylpyrazine-2-carboxylate
CID 18193422
[2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 4-chloropyridine-2-carboxylate
CID 8906394
2-(2-bromo-4-chlorophenoxy)-1-(3-fluoro-4-methoxyphenyl)ethanone
CID 55373790
[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 4-iodobenzoate
CID 31981645
[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 6-chloro-4-oxochromene-2-carboxylate
CID 8877631
[2-(4-methoxyphenyl)-2-oxoethyl] 3-fluoro-4-methoxybenzoate
CID 7991637
[2-(2,4-dimethylphenyl)-2-oxoethyl] 4-chloropyridine-2-carboxylate
CID 8905380
[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 3-methoxynaphthalene-2-carboxylate
CID 7679231
[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 2-fluoro-4-methoxybenzoate
CID 7491072
[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 2-(4-chlorophenyl)sulfanylacetate
CID 55375066
[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 1,3-benzothiazole-6-carboxylate
CID 8520615
[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 4-methoxynaphthalene-1-carboxylate
CID 8597334

Frequently Asked Questions

What is the IUPAC name of [2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 4-chloropyridine-2-carboxylate?
The IUPAC name of [2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 4-chloropyridine-2-carboxylate (CID 8588920) is [2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 4-chloropyridine-2-carboxylate.
What is the SMILES notation for [2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 4-chloropyridine-2-carboxylate?
The canonical SMILES for [2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 4-chloropyridine-2-carboxylate is COc1ccc(C(=O)COC(=O)c2cc(Cl)ccn2)cc1F.
What is the InChIKey of [2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 4-chloropyridine-2-carboxylate?
The InChIKey is VWPZERZIINCQER-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClFNO4/c1-21-14-3-2-9(6-11(14)17)13(19)8-22-15(20)12-7-10(16)4-5-18-12/h2-7H,8H2,1H3.
What are the key properties of [2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 4-chloropyridine-2-carboxylate?
[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 4-chloropyridine-2-carboxylate has a molecular weight of 323.71 g/mol, XLogP of 2.92, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 4-chloropyridine-2-carboxylate is sourced from PubChem (CID 8588920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).