3-bromo-5-[[4-(2-methoxyethyl)phenoxy]methyl]pyridine

C15H16BrNO2 — CID 115582278

IUPAC3-bromo-5-[[4-(2-methoxyethyl)phenoxy]methyl]pyridine
SMILESCOCCc1ccc(OCc2cncc(Br)c2)cc1
InChIInChI=1S/C15H16BrNO2/c1-18-7-6-12-2-4-15(5-3-12)19-11-13-8-14(16)10-17-9-13/h2-5,8-10H,6-7,11H2,1H3
InChIKeyHRSJLTGBHHEBFA-UHFFFAOYSA-N
MW322.20 g/mol
LogP3.61
Rot. Bonds6

About 3-bromo-5-[[4-(2-methoxyethyl)phenoxy]methyl]pyridine

3-bromo-5-[[4-(2-methoxyethyl)phenoxy]methyl]pyridine (PubChem CID 115582278) has the molecular formula C15H16BrNO2 and a molecular weight of 322.20 g/mol. Its IUPAC name is 3-bromo-5-[[4-(2-methoxyethyl)phenoxy]methyl]pyridine.

Molecular Properties

Compound Name3-bromo-5-[[4-(2-methoxyethyl)phenoxy]methyl]pyridine
PubChem CID115582278
Molecular FormulaC15H16BrNO2
Molecular Weight322.20 g/mol
Exact Mass321.04
IUPAC Name3-bromo-5-[[4-(2-methoxyethyl)phenoxy]methyl]pyridine
SMILESCOCCc1ccc(OCc2cncc(Br)c2)cc1
InChIInChI=1S/C15H16BrNO2/c1-18-7-6-12-2-4-15(5-3-12)19-11-13-8-14(16)10-17-9-13/h2-5,8-10H,6-7,11H2,1H3
InChIKeyHRSJLTGBHHEBFA-UHFFFAOYSA-N
XLogP3.61
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.20
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-5-[(4-bromophenoxy)methyl]pyridine
CID 115580483
3-bromo-5-[(4-iodophenoxy)methyl]pyridine
CID 115582275
N-[[4-[(5-bromo-3-pyridinyl)methoxy]phenyl]methyl]ethanamine
CID 104796087
(1S)-1-[4-[(5-bromo-3-pyridinyl)methoxy]phenyl]ethanamine
CID 113454075
[5-[(5-bromo-3-pyridinyl)methoxy]-2-pyridinyl]methanamine
CID 113454081
1-[4-[(5-bromo-3-pyridinyl)methoxy]phenyl]propan-1-amine
CID 104796044
5-[[4-(2-methoxyethyl)phenoxy]methyl]pyridin-2-amine
CID 62194855
3-[(5-bromo-3-pyridinyl)methoxy]-5-methoxybenzonitrile
CID 103567139
1-bromo-4-methoxy-2-[[4-(2-methoxyethyl)phenoxy]methyl]benzene
CID 65326137
3-bromo-5-[(2-methoxyphenoxy)methyl]pyridine
CID 115580496
3-bromo-5-[(3-chloro-4-fluorophenoxy)methyl]pyridine
CID 115580509
5-bromo-2-[4-(2-methoxyethyl)phenoxy]pyridine
CID 61373244

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-[[4-(2-methoxyethyl)phenoxy]methyl]pyridine?
The IUPAC name of 3-bromo-5-[[4-(2-methoxyethyl)phenoxy]methyl]pyridine (CID 115582278) is 3-bromo-5-[[4-(2-methoxyethyl)phenoxy]methyl]pyridine.
What is the SMILES notation for 3-bromo-5-[[4-(2-methoxyethyl)phenoxy]methyl]pyridine?
The canonical SMILES for 3-bromo-5-[[4-(2-methoxyethyl)phenoxy]methyl]pyridine is COCCc1ccc(OCc2cncc(Br)c2)cc1.
What is the InChIKey of 3-bromo-5-[[4-(2-methoxyethyl)phenoxy]methyl]pyridine?
The InChIKey is HRSJLTGBHHEBFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNO2/c1-18-7-6-12-2-4-15(5-3-12)19-11-13-8-14(16)10-17-9-13/h2-5,8-10H,6-7,11H2,1H3.
What are the key properties of 3-bromo-5-[[4-(2-methoxyethyl)phenoxy]methyl]pyridine?
3-bromo-5-[[4-(2-methoxyethyl)phenoxy]methyl]pyridine has a molecular weight of 322.20 g/mol, XLogP of 3.61, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-[[4-(2-methoxyethyl)phenoxy]methyl]pyridine is sourced from PubChem (CID 115582278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).