[2-(4-fluorophenyl)-2-oxoethyl] 2-chloropyridine-3-carboxylate

C14H9ClFNO3 — CID 2358682

IUPAC[2-(4-fluorophenyl)-2-oxoethyl] 2-chloropyridine-3-carboxylate
SMILESO=C(COC(=O)c1cccnc1Cl)c1ccc(F)cc1
InChIInChI=1S/C14H9ClFNO3/c15-13-11(2-1-7-17-13)14(19)20-8-12(18)9-3-5-10(16)6-4-9/h1-7H,8H2
InChIKeyUCAQMCXKPORMFI-UHFFFAOYSA-N
MW293.68 g/mol
LogP2.91
Rot. Bonds4

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

[2-(4-fluorophenyl)-2-oxoethyl] 2-chloropyridine-3-carboxylate (PubChem CID 2358682) has the molecular formula C14H9ClFNO3 and a molecular weight of 293.68 g/mol. Its IUPAC name is [2-(4-fluorophenyl)-2-oxoethyl] 2-chloropyridine-3-carboxylate.

Molecular Properties

Compound Name[2-(4-fluorophenyl)-2-oxoethyl] 2-chloropyridine-3-carboxylate
PubChem CID2358682
Molecular FormulaC14H9ClFNO3
Molecular Weight293.68 g/mol
Exact Mass293.03
IUPAC Name[2-(4-fluorophenyl)-2-oxoethyl] 2-chloropyridine-3-carboxylate
SMILESO=C(COC(=O)c1cccnc1Cl)c1ccc(F)cc1
InChIInChI=1S/C14H9ClFNO3/c15-13-11(2-1-7-17-13)14(19)20-8-12(18)9-3-5-10(16)6-4-9/h1-7H,8H2
InChIKeyUCAQMCXKPORMFI-UHFFFAOYSA-N
XLogP2.91
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.68
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Benzyl Nicotinate
CID 7191
Octyl nicotinate
CID 96462
Benzyl 2-chloropyridine-3-carboxylate
CID 2111911
Ethyl 4-Chloroquinoline-3-carboxylate
CID 268963
Nicotinic acid, (4-chlorophenyl)methyl ester
CID 533049
[2-Oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] 2-chloropyridine-3-carboxylate
CID 2097500
{[(4-Fluorophenyl)methyl]carbamoyl}methyl 2-chloropyridine-3-carboxylate
CID 2099259
Benzoylmethyl pyridine-4-carboxylate
CID 2346313
(4-Cyanophenyl)methyl 2-chloropyridine-3-carboxylate
CID 2386850
(4-Fluorophenyl)methyl 2-chloropyridine-3-carboxylate
CID 2392805
(2-Chloro-6-fluorophenyl)methyl 2-chloropyridine-3-carboxylate
CID 2429893
[2-Oxo-2-(2,4,6-trimethylphenyl)ethyl] 2-chloropyridine-3-carboxylate
CID 2444893

Frequently Asked Questions

What is the IUPAC name of [2-(4-fluorophenyl)-2-oxoethyl] 2-chloropyridine-3-carboxylate?
The IUPAC name of [2-(4-fluorophenyl)-2-oxoethyl] 2-chloropyridine-3-carboxylate (CID 2358682) is [2-(4-fluorophenyl)-2-oxoethyl] 2-chloropyridine-3-carboxylate.
What is the SMILES notation for [2-(4-fluorophenyl)-2-oxoethyl] 2-chloropyridine-3-carboxylate?
The canonical SMILES for [2-(4-fluorophenyl)-2-oxoethyl] 2-chloropyridine-3-carboxylate is O=C(COC(=O)c1cccnc1Cl)c1ccc(F)cc1.
What is the InChIKey of [2-(4-fluorophenyl)-2-oxoethyl] 2-chloropyridine-3-carboxylate?
The InChIKey is UCAQMCXKPORMFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClFNO3/c15-13-11(2-1-7-17-13)14(19)20-8-12(18)9-3-5-10(16)6-4-9/h1-7H,8H2.
What are the key properties of [2-(4-fluorophenyl)-2-oxoethyl] 2-chloropyridine-3-carboxylate?
[2-(4-fluorophenyl)-2-oxoethyl] 2-chloropyridine-3-carboxylate has a molecular weight of 293.68 g/mol, XLogP of 2.91, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-fluorophenyl)-2-oxoethyl] 2-chloropyridine-3-carboxylate is sourced from PubChem (CID 2358682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).