3-[2-(3-bromophenoxy)ethoxy]pyridine-2-carboxylic acid

C14H12BrNO4 — CID 61380364

IUPAC3-[2-(3-bromophenoxy)ethoxy]pyridine-2-carboxylic acid
SMILESO=C(O)c1ncccc1OCCOc1cccc(Br)c1
InChIInChI=1S/C14H12BrNO4/c15-10-3-1-4-11(9-10)19-7-8-20-12-5-2-6-16-13(12)14(17)18/h1-6,9H,7-8H2,(H,17,18)
InChIKeyZTUXKPATWDYQTK-UHFFFAOYSA-N
MW338.16 g/mol
LogP3.00
Rot. Bonds6

About 3-[2-(3-bromophenoxy)ethoxy]pyridine-2-carboxylic acid

3-[2-(3-bromophenoxy)ethoxy]pyridine-2-carboxylic acid (PubChem CID 61380364) has the molecular formula C14H12BrNO4 and a molecular weight of 338.16 g/mol. Its IUPAC name is 3-[2-(3-bromophenoxy)ethoxy]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-[2-(3-bromophenoxy)ethoxy]pyridine-2-carboxylic acid
PubChem CID61380364
Molecular FormulaC14H12BrNO4
Molecular Weight338.16 g/mol
Exact Mass336.99
IUPAC Name3-[2-(3-bromophenoxy)ethoxy]pyridine-2-carboxylic acid
SMILESO=C(O)c1ncccc1OCCOc1cccc(Br)c1
InChIInChI=1S/C14H12BrNO4/c15-10-3-1-4-11(9-10)19-7-8-20-12-5-2-6-16-13(12)14(17)18/h1-6,9H,7-8H2,(H,17,18)
InChIKeyZTUXKPATWDYQTK-UHFFFAOYSA-N
XLogP3.00
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.16
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-3-[2-(3-bromophenoxy)ethoxy]pyridine
CID 62047656
3-(3-aminopropoxy)pyridine-2-carboxylic acid
CID 63654419
2-[2-(3-bromophenoxy)ethoxy]-4-chlorobenzoic acid
CID 45418932
3-(4-carboxybutoxy)pyridine-2-carboxylic acid
CID 69472866
3-(3-bromophenoxy)propylcarbamic acid
CID 69086482
3-[2-(2-methylprop-2-enoyloxy)ethoxy]pyridine-2-carboxylic acid
CID 140907193
[4-[2-(3-bromophenoxy)ethoxy]phenyl]-phenylmethanone
CID 7717731
2-(3-bromophenoxy)ethyl 2-phenoxyacetate
CID 55313634
3-(5-bromo-2-fluorophenoxy)pyridine-2-carboxylic acid
CID 114677043
3-[2-(3-methylbutoxy)ethoxy]pyridine-2-carboxylic acid
CID 54956088
4-amino-1-[2-(3-bromophenoxy)ethyl]pyrazole-3-carboxylic acid
CID 107344238
2-(3-bromophenoxy)ethyl 2-[methyl(pyrimidin-2-yl)amino]acetate
CID 55603448

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-bromophenoxy)ethoxy]pyridine-2-carboxylic acid?
The IUPAC name of 3-[2-(3-bromophenoxy)ethoxy]pyridine-2-carboxylic acid (CID 61380364) is 3-[2-(3-bromophenoxy)ethoxy]pyridine-2-carboxylic acid.
What is the SMILES notation for 3-[2-(3-bromophenoxy)ethoxy]pyridine-2-carboxylic acid?
The canonical SMILES for 3-[2-(3-bromophenoxy)ethoxy]pyridine-2-carboxylic acid is O=C(O)c1ncccc1OCCOc1cccc(Br)c1.
What is the InChIKey of 3-[2-(3-bromophenoxy)ethoxy]pyridine-2-carboxylic acid?
The InChIKey is ZTUXKPATWDYQTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrNO4/c15-10-3-1-4-11(9-10)19-7-8-20-12-5-2-6-16-13(12)14(17)18/h1-6,9H,7-8H2,(H,17,18).
What are the key properties of 3-[2-(3-bromophenoxy)ethoxy]pyridine-2-carboxylic acid?
3-[2-(3-bromophenoxy)ethoxy]pyridine-2-carboxylic acid has a molecular weight of 338.16 g/mol, XLogP of 3.00, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-bromophenoxy)ethoxy]pyridine-2-carboxylic acid is sourced from PubChem (CID 61380364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).