2-(4-bromophenoxy)ethyl 6-methoxypyridine-3-carboxylate

C15H14BrNO4 — CID 55443983

IUPAC2-(4-bromophenoxy)ethyl 6-methoxypyridine-3-carboxylate
SMILESCOc1ccc(C(=O)OCCOc2ccc(Br)cc2)cn1
InChIInChI=1S/C15H14BrNO4/c1-19-14-7-2-11(10-17-14)15(18)21-9-8-20-13-5-3-12(16)4-6-13/h2-7,10H,8-9H2,1H3
InChIKeyPMCQKQMDIRMVTA-UHFFFAOYSA-N
MW352.18 g/mol
LogP3.09
Rot. Bonds6

About 2-(4-bromophenoxy)ethyl 6-methoxypyridine-3-carboxylate

2-(4-bromophenoxy)ethyl 6-methoxypyridine-3-carboxylate (PubChem CID 55443983) has the molecular formula C15H14BrNO4 and a molecular weight of 352.18 g/mol. Its IUPAC name is 2-(4-bromophenoxy)ethyl 6-methoxypyridine-3-carboxylate.

Molecular Properties

Compound Name2-(4-bromophenoxy)ethyl 6-methoxypyridine-3-carboxylate
PubChem CID55443983
Molecular FormulaC15H14BrNO4
Molecular Weight352.18 g/mol
Exact Mass351.01
IUPAC Name2-(4-bromophenoxy)ethyl 6-methoxypyridine-3-carboxylate
SMILESCOc1ccc(C(=O)OCCOc2ccc(Br)cc2)cn1
InChIInChI=1S/C15H14BrNO4/c1-19-14-7-2-11(10-17-14)15(18)21-9-8-20-13-5-3-12(16)4-6-13/h2-7,10H,8-9H2,1H3
InChIKeyPMCQKQMDIRMVTA-UHFFFAOYSA-N
XLogP3.09
TPSA57.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.18
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-O-[2-(4-bromophenoxy)ethyl] 1-O-methyl benzene-1,4-dicarboxylate
CID 55308187
2-(4-bromophenoxy)ethyl 4-aminobenzoate
CID 60643099
3-(4-bromophenyl)-1-(6-methoxy-3-pyridinyl)propan-1-one
CID 161119068
2-butoxyethyl 6-bromopyridine-3-carboxylate
CID 66462585
[2-(diethylamino)-2-oxoethyl] 6-methoxypyridine-3-carboxylate
CID 55443956
2-(4-bromophenoxy)ethyl 3-aminobenzoate
CID 60665379
[2-[(2-methoxy-2-oxoethyl)amino]-2-oxoethyl] 6-methoxypyridine-3-carboxylate
CID 18286834
4-[2-(4-bromophenoxy)ethoxy]benzoic acid
CID 20984535
methyl 4-[2-(4-bromophenyl)ethoxy]benzoate
CID 66812433
2-(4-bromophenoxy)ethyl 3-methoxynaphthalene-2-carboxylate
CID 2416862
2-[2-(4-methoxybenzoyl)oxyethoxy]ethyl 4-methoxybenzoate
CID 154279201
2-(4-methoxyphenoxy)ethyl 4-acetamidobenzoate
CID 7654087

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenoxy)ethyl 6-methoxypyridine-3-carboxylate?
The IUPAC name of 2-(4-bromophenoxy)ethyl 6-methoxypyridine-3-carboxylate (CID 55443983) is 2-(4-bromophenoxy)ethyl 6-methoxypyridine-3-carboxylate.
What is the SMILES notation for 2-(4-bromophenoxy)ethyl 6-methoxypyridine-3-carboxylate?
The canonical SMILES for 2-(4-bromophenoxy)ethyl 6-methoxypyridine-3-carboxylate is COc1ccc(C(=O)OCCOc2ccc(Br)cc2)cn1.
What is the InChIKey of 2-(4-bromophenoxy)ethyl 6-methoxypyridine-3-carboxylate?
The InChIKey is PMCQKQMDIRMVTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrNO4/c1-19-14-7-2-11(10-17-14)15(18)21-9-8-20-13-5-3-12(16)4-6-13/h2-7,10H,8-9H2,1H3.
What are the key properties of 2-(4-bromophenoxy)ethyl 6-methoxypyridine-3-carboxylate?
2-(4-bromophenoxy)ethyl 6-methoxypyridine-3-carboxylate has a molecular weight of 352.18 g/mol, XLogP of 3.09, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenoxy)ethyl 6-methoxypyridine-3-carboxylate is sourced from PubChem (CID 55443983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).