[2-(2-bromophenyl)-2-oxoethyl] 2-fluoropyridine-4-carboxylate

C14H9BrFNO3 — CID 75493658

IUPAC[2-(2-bromophenyl)-2-oxoethyl] 2-fluoropyridine-4-carboxylate
SMILESO=C(OCC(=O)c1ccccc1Br)c1ccnc(F)c1
InChIInChI=1S/C14H9BrFNO3/c15-11-4-2-1-3-10(11)12(18)8-20-14(19)9-5-6-17-13(16)7-9/h1-7H,8H2
InChIKeyWFRUUJAATAEYQG-UHFFFAOYSA-N
MW338.13 g/mol
LogP3.02
Rot. Bonds4

About [2-(2-bromophenyl)-2-oxoethyl] 2-fluoropyridine-4-carboxylate

[2-(2-bromophenyl)-2-oxoethyl] 2-fluoropyridine-4-carboxylate (PubChem CID 75493658) has the molecular formula C14H9BrFNO3 and a molecular weight of 338.13 g/mol. Its IUPAC name is [2-(2-bromophenyl)-2-oxoethyl] 2-fluoropyridine-4-carboxylate.

Molecular Properties

Compound Name[2-(2-bromophenyl)-2-oxoethyl] 2-fluoropyridine-4-carboxylate
PubChem CID75493658
Molecular FormulaC14H9BrFNO3
Molecular Weight338.13 g/mol
Exact Mass336.97
IUPAC Name[2-(2-bromophenyl)-2-oxoethyl] 2-fluoropyridine-4-carboxylate
SMILESO=C(OCC(=O)c1ccccc1Br)c1ccnc(F)c1
InChIInChI=1S/C14H9BrFNO3/c15-11-4-2-1-3-10(11)12(18)8-20-14(19)9-5-6-17-13(16)7-9/h1-7H,8H2
InChIKeyWFRUUJAATAEYQG-UHFFFAOYSA-N
XLogP3.02
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.13
LogP ≤ 53.02
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

bis[2-(2-bromophenyl)-2-oxoethyl] 2-aminobenzene-1,4-dicarboxylate
CID 11613938
cyanomethyl 2-fluoropyridine-4-carboxylate
CID 130616489
[2-(2-bromophenyl)-2-oxoethyl] 2-[(4-fluorophenyl)methoxy]benzoate
CID 23768164
[2-(2-bromophenyl)-2-oxoethyl] 2,5-dimethylbenzoate
CID 2345743
2-(2-bromophenoxy)-1-(2-bromophenyl)ethanone
CID 60623805
[2-(2,5-dimethylphenyl)-2-oxoethyl] 2-bromobenzoate
CID 2565891
(2-bromophenyl)methyl 2-aminopyridine-4-carboxylate
CID 82824073
1-(2-bromophenyl)-2-(4-chloro-3-fluorophenoxy)ethanone
CID 82716737
3-(2-methoxyethoxy)propyl 2-fluoropyridine-4-carboxylate
CID 103407266
[2-[2-(2-bromobenzoyl)hydrazinyl]-2-oxoethyl] 4-fluorobenzoate
CID 7478277
[2-[(2-bromophenyl)methylamino]-2-oxoethyl] 2-chloropyridine-4-carboxylate
CID 71823351
1-(2-bromophenyl)-2-naphthalen-2-yloxyethanone
CID 22123529

Frequently Asked Questions

What is the IUPAC name of [2-(2-bromophenyl)-2-oxoethyl] 2-fluoropyridine-4-carboxylate?
The IUPAC name of [2-(2-bromophenyl)-2-oxoethyl] 2-fluoropyridine-4-carboxylate (CID 75493658) is [2-(2-bromophenyl)-2-oxoethyl] 2-fluoropyridine-4-carboxylate.
What is the SMILES notation for [2-(2-bromophenyl)-2-oxoethyl] 2-fluoropyridine-4-carboxylate?
The canonical SMILES for [2-(2-bromophenyl)-2-oxoethyl] 2-fluoropyridine-4-carboxylate is O=C(OCC(=O)c1ccccc1Br)c1ccnc(F)c1.
What is the InChIKey of [2-(2-bromophenyl)-2-oxoethyl] 2-fluoropyridine-4-carboxylate?
The InChIKey is WFRUUJAATAEYQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrFNO3/c15-11-4-2-1-3-10(11)12(18)8-20-14(19)9-5-6-17-13(16)7-9/h1-7H,8H2.
What are the key properties of [2-(2-bromophenyl)-2-oxoethyl] 2-fluoropyridine-4-carboxylate?
[2-(2-bromophenyl)-2-oxoethyl] 2-fluoropyridine-4-carboxylate has a molecular weight of 338.13 g/mol, XLogP of 3.02, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-bromophenyl)-2-oxoethyl] 2-fluoropyridine-4-carboxylate is sourced from PubChem (CID 75493658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).