5-bromo-2-[2-(3-methoxypropoxy)ethoxy]pyridine

C11H16BrNO3 — CID 103179380

IUPAC5-bromo-2-[2-(3-methoxypropoxy)ethoxy]pyridine
SMILESCOCCCOCCOc1ccc(Br)cn1
InChIInChI=1S/C11H16BrNO3/c1-14-5-2-6-15-7-8-16-11-4-3-10(12)9-13-11/h3-4,9H,2,5-8H2,1H3
InChIKeyCJOAKRRAANSYCT-UHFFFAOYSA-N
MW290.16 g/mol
LogP2.28
Rot. Bonds8

About 5-bromo-2-[2-(3-methoxypropoxy)ethoxy]pyridine

5-bromo-2-[2-(3-methoxypropoxy)ethoxy]pyridine (PubChem CID 103179380) has the molecular formula C11H16BrNO3 and a molecular weight of 290.16 g/mol. Its IUPAC name is 5-bromo-2-[2-(3-methoxypropoxy)ethoxy]pyridine.

Molecular Properties

Compound Name5-bromo-2-[2-(3-methoxypropoxy)ethoxy]pyridine
PubChem CID103179380
Molecular FormulaC11H16BrNO3
Molecular Weight290.16 g/mol
Exact Mass289.03
IUPAC Name5-bromo-2-[2-(3-methoxypropoxy)ethoxy]pyridine
SMILESCOCCCOCCOc1ccc(Br)cn1
InChIInChI=1S/C11H16BrNO3/c1-14-5-2-6-15-7-8-16-11-4-3-10(12)9-13-11/h3-4,9H,2,5-8H2,1H3
InChIKeyCJOAKRRAANSYCT-UHFFFAOYSA-N
XLogP2.28
TPSA40.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.16
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-[2-(3-methoxypropoxy)ethoxy]pyridin-3-amine
CID 103176771
6-[2-(3-methoxypropoxy)ethoxy]pyridine-3-carbonitrile
CID 103177589
N-[[6-[2-(3-methoxypropoxy)ethoxy]-3-pyridinyl]methyl]propan-2-amine
CID 103180844
3-bromo-8-[2-(3-methoxypropoxy)ethoxy]-1,5-naphthyridine
CID 103179363
5-bromo-2-(3-methylsulfonylpropoxy)pyridine
CID 119086341
2-[4-[2-[2-[2-[2-[4-[2-[(5-bromo-2-pyridinyl)oxy]ethoxy]butoxy]ethoxy]ethoxy]ethoxy]ethoxy]butyl]isoindole-1,3-dione
CID 166690607
tert-butyl 2-[2-[2-[2-[2-[2-[(5-bromo-2-pyridinyl)oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetate
CID 134481656
N-[[6-[3-(2-methoxyethoxy)propoxy]-3-pyridinyl]methyl]-2-methylpropan-2-amine
CID 103405583
5-bromo-2-methoxypyridine
CID 2734895
4-bromo-2-[2-(3-methoxypropoxy)ethoxy]benzenecarbothioamide
CID 103177666
3-bromo-8-[3-(2-methoxyethoxy)propoxy]-1,5-naphthyridine
CID 103404124
2-chloro-6-[2-(3-methoxypropoxy)ethoxy]pyridine
CID 103177517

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[2-(3-methoxypropoxy)ethoxy]pyridine?
The IUPAC name of 5-bromo-2-[2-(3-methoxypropoxy)ethoxy]pyridine (CID 103179380) is 5-bromo-2-[2-(3-methoxypropoxy)ethoxy]pyridine.
What is the SMILES notation for 5-bromo-2-[2-(3-methoxypropoxy)ethoxy]pyridine?
The canonical SMILES for 5-bromo-2-[2-(3-methoxypropoxy)ethoxy]pyridine is COCCCOCCOc1ccc(Br)cn1.
What is the InChIKey of 5-bromo-2-[2-(3-methoxypropoxy)ethoxy]pyridine?
The InChIKey is CJOAKRRAANSYCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNO3/c1-14-5-2-6-15-7-8-16-11-4-3-10(12)9-13-11/h3-4,9H,2,5-8H2,1H3.
What are the key properties of 5-bromo-2-[2-(3-methoxypropoxy)ethoxy]pyridine?
5-bromo-2-[2-(3-methoxypropoxy)ethoxy]pyridine has a molecular weight of 290.16 g/mol, XLogP of 2.28, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[2-(3-methoxypropoxy)ethoxy]pyridine is sourced from PubChem (CID 103179380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).