5-bromo-2-[(4-methoxyphenyl)methoxy]pyridine

C13H12BrNO2 — CID 26967066

IUPAC5-bromo-2-[(4-methoxyphenyl)methoxy]pyridine
SMILESCOc1ccc(COc2ccc(Br)cn2)cc1
InChIInChI=1S/C13H12BrNO2/c1-16-12-5-2-10(3-6-12)9-17-13-7-4-11(14)8-15-13/h2-8H,9H2,1H3
InChIKeyNCWXAIKSFAEBJX-UHFFFAOYSA-N
MW294.15 g/mol
LogP3.43
Rot. Bonds4

About 5-bromo-2-[(4-methoxyphenyl)methoxy]pyridine

5-bromo-2-[(4-methoxyphenyl)methoxy]pyridine (PubChem CID 26967066) has the molecular formula C13H12BrNO2 and a molecular weight of 294.15 g/mol. Its IUPAC name is 5-bromo-2-[(4-methoxyphenyl)methoxy]pyridine.

Molecular Properties

Compound Name5-bromo-2-[(4-methoxyphenyl)methoxy]pyridine
PubChem CID26967066
Molecular FormulaC13H12BrNO2
Molecular Weight294.15 g/mol
Exact Mass293.01
IUPAC Name5-bromo-2-[(4-methoxyphenyl)methoxy]pyridine
SMILESCOc1ccc(COc2ccc(Br)cn2)cc1
InChIInChI=1S/C13H12BrNO2/c1-16-12-5-2-10(3-6-12)9-17-13-7-4-11(14)8-15-13/h2-8H,9H2,1H3
InChIKeyNCWXAIKSFAEBJX-UHFFFAOYSA-N
XLogP3.43
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.15
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-bromo-2-[(4-methoxyphenyl)methoxy]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[2-(4-Methoxy-phenyl)-vinyl]-pyridine
CID 735606
Pyridine, 2-(4-ethoxyphenyl)-5-pentyl-
CID 3126242
(6-Phenoxypyridin-3-yl)methanol
CID 2776502
2-(Benzyloxy)pyridine
CID 295859
N-(5-bromo-2-ethoxybenzyl)-N-(3-pyridinylmethyl)amine
CID 834314
6-Bromo-2-phenyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine
CID 514898
2H-Pyrano(2,3-b)pyridine, 6-bromo-3,4-dihydro-2-(4-methylphenyl)-
CID 514899
(4-Ethoxy-benzyl)-pyridin-3-ylmethyl-amine
CID 834002
4-(4-Butoxy-phenyl)-pyridine
CID 11322127
2-(4-Butoxyphenyl)pyridine
CID 11322128
3-(4-Butoxy-phenyl)-pyridine
CID 11817019
(E)-(5-Bromo-6-{2-[2-(2-fluoroethoxy)ethoxy]ethoxy}pyridin-3-yl)-2-(4-hydroxyphenyl)-ethylene
CID 16221447

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[(4-methoxyphenyl)methoxy]pyridine?
The IUPAC name of 5-bromo-2-[(4-methoxyphenyl)methoxy]pyridine (CID 26967066) is 5-bromo-2-[(4-methoxyphenyl)methoxy]pyridine.
What is the SMILES notation for 5-bromo-2-[(4-methoxyphenyl)methoxy]pyridine?
The canonical SMILES for 5-bromo-2-[(4-methoxyphenyl)methoxy]pyridine is COc1ccc(COc2ccc(Br)cn2)cc1.
What is the InChIKey of 5-bromo-2-[(4-methoxyphenyl)methoxy]pyridine?
The InChIKey is NCWXAIKSFAEBJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrNO2/c1-16-12-5-2-10(3-6-12)9-17-13-7-4-11(14)8-15-13/h2-8H,9H2,1H3.
What are the key properties of 5-bromo-2-[(4-methoxyphenyl)methoxy]pyridine?
5-bromo-2-[(4-methoxyphenyl)methoxy]pyridine has a molecular weight of 294.15 g/mol, XLogP of 3.43, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[(4-methoxyphenyl)methoxy]pyridine is sourced from PubChem (CID 26967066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).