2-(3-bromophenoxy)ethyl 5,6-dichloropyridine-3-carboxylate

C14H10BrCl2NO3 — CID 55314897

IUPAC2-(3-bromophenoxy)ethyl 5,6-dichloropyridine-3-carboxylate
SMILESO=C(OCCOc1cccc(Br)c1)c1cnc(Cl)c(Cl)c1
InChIInChI=1S/C14H10BrCl2NO3/c15-10-2-1-3-11(7-10)20-4-5-21-14(19)9-6-12(16)13(17)18-8-9/h1-3,6-8H,4-5H2
InChIKeyFJWZHEMMPIICOG-UHFFFAOYSA-N
MW391.05 g/mol
LogP4.39
Rot. Bonds5

About 2-(3-bromophenoxy)ethyl 5,6-dichloropyridine-3-carboxylate

2-(3-bromophenoxy)ethyl 5,6-dichloropyridine-3-carboxylate (PubChem CID 55314897) has the molecular formula C14H10BrCl2NO3 and a molecular weight of 391.05 g/mol. Its IUPAC name is 2-(3-bromophenoxy)ethyl 5,6-dichloropyridine-3-carboxylate.

Molecular Properties

Compound Name2-(3-bromophenoxy)ethyl 5,6-dichloropyridine-3-carboxylate
PubChem CID55314897
Molecular FormulaC14H10BrCl2NO3
Molecular Weight391.05 g/mol
Exact Mass388.92
IUPAC Name2-(3-bromophenoxy)ethyl 5,6-dichloropyridine-3-carboxylate
SMILESO=C(OCCOc1cccc(Br)c1)c1cnc(Cl)c(Cl)c1
InChIInChI=1S/C14H10BrCl2NO3/c15-10-2-1-3-11(7-10)20-4-5-21-14(19)9-6-12(16)13(17)18-8-9/h1-3,6-8H,4-5H2
InChIKeyFJWZHEMMPIICOG-UHFFFAOYSA-N
XLogP4.39
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.05
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(3-bromophenoxy)ethyl 4-amino-3,5,6-trichloropyridine-2-carboxylate
CID 16577213
2-(3-bromophenoxy)ethyl 6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxylate
CID 55644722
2-[(2-methylpropan-2-yl)oxy]ethyl 5,6-dichloropyridine-3-carboxylate
CID 112686977
4-[2-(3-bromophenoxy)ethoxy]-1,2-dichlorobenzene
CID 60626996
2-(3-bromophenoxy)ethyl 2-[(4-chlorobenzoyl)amino]acetate
CID 2492843
4-[2-(3-bromophenoxy)ethoxy]benzamide
CID 26217003
2-(3-bromophenoxy)ethyl 3-(tetrazol-1-yl)benzoate
CID 18080462
[2-(2,4-dibromoanilino)-2-oxoethyl] 5,6-dichloropyridine-3-carboxylate
CID 2355123
2-(3-bromophenoxy)ethyl 2-phenoxyacetate
CID 55313634
2-(3-bromophenoxy)ethyl 5-methylfuran-2-carboxylate
CID 55323496
2-(3-bromophenoxy)ethyl 2-methoxybenzoate
CID 55318537
2-(3-bromophenoxy)ethyl 2-amino-6-methylbenzoate
CID 63450116

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenoxy)ethyl 5,6-dichloropyridine-3-carboxylate?
The IUPAC name of 2-(3-bromophenoxy)ethyl 5,6-dichloropyridine-3-carboxylate (CID 55314897) is 2-(3-bromophenoxy)ethyl 5,6-dichloropyridine-3-carboxylate.
What is the SMILES notation for 2-(3-bromophenoxy)ethyl 5,6-dichloropyridine-3-carboxylate?
The canonical SMILES for 2-(3-bromophenoxy)ethyl 5,6-dichloropyridine-3-carboxylate is O=C(OCCOc1cccc(Br)c1)c1cnc(Cl)c(Cl)c1.
What is the InChIKey of 2-(3-bromophenoxy)ethyl 5,6-dichloropyridine-3-carboxylate?
The InChIKey is FJWZHEMMPIICOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrCl2NO3/c15-10-2-1-3-11(7-10)20-4-5-21-14(19)9-6-12(16)13(17)18-8-9/h1-3,6-8H,4-5H2.
What are the key properties of 2-(3-bromophenoxy)ethyl 5,6-dichloropyridine-3-carboxylate?
2-(3-bromophenoxy)ethyl 5,6-dichloropyridine-3-carboxylate has a molecular weight of 391.05 g/mol, XLogP of 4.39, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenoxy)ethyl 5,6-dichloropyridine-3-carboxylate is sourced from PubChem (CID 55314897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).