4-bromo-2-(3-methoxyoxetan-3-yl)pyridine

C9H10BrNO2 — CID 164878079

IUPAC4-bromo-2-(3-methoxyoxetan-3-yl)pyridine
SMILESCOC1(c2cc(Br)ccn2)COC1
InChIInChI=1S/C9H10BrNO2/c1-12-9(5-13-6-9)8-4-7(10)2-3-11-8/h2-4H,5-6H2,1H3
InChIKeyAWYUDKOQUAJBDM-UHFFFAOYSA-N
MW244.09 g/mol
LogP1.72
Rot. Bonds2

About 4-bromo-2-(3-methoxyoxetan-3-yl)pyridine

4-bromo-2-(3-methoxyoxetan-3-yl)pyridine (PubChem CID 164878079) has the molecular formula C9H10BrNO2 and a molecular weight of 244.09 g/mol. Its IUPAC name is 4-bromo-2-(3-methoxyoxetan-3-yl)pyridine.

Molecular Properties

Compound Name4-bromo-2-(3-methoxyoxetan-3-yl)pyridine
PubChem CID164878079
Molecular FormulaC9H10BrNO2
Molecular Weight244.09 g/mol
Exact Mass242.99
IUPAC Name4-bromo-2-(3-methoxyoxetan-3-yl)pyridine
SMILESCOC1(c2cc(Br)ccn2)COC1
InChIInChI=1S/C9H10BrNO2/c1-12-9(5-13-6-9)8-4-7(10)2-3-11-8/h2-4H,5-6H2,1H3
InChIKeyAWYUDKOQUAJBDM-UHFFFAOYSA-N
XLogP1.72
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.09
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-bromo-2-(3-methoxyoxetan-3-yl)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

2-(3-methoxyoxetan-3-yl)-4-propan-2-ylpyridine
CID 138538310
3-(5-bromo-2-methoxyphenyl)-3-methoxyoxetane
CID 116875930
4-ethenyl-2-(3-methoxyoxolan-3-yl)pyridine
CID 139464706
2-fluoro-4-(3-methoxyoxolan-3-yl)pyridine
CID 170419532
4-ethyl-2-(1-methoxycyclopropyl)pyridine
CID 170100012
1-(4-bromo-2-pyridinyl)-6-oxa-1-azaspiro[3.3]heptane
CID 146451944
2-(3-methoxyoxetan-3-yl)-5-methyl-1H-imidazole
CID 141388655
4-(3-methoxyoxetan-3-yl)aniline
CID 90422102
1-(4-bromo-2-pyridinyl)-4,4-difluorocyclohexan-1-ol
CID 170785516
2,4-dibromopyridine
CID 817104
1-(4-bromo-2-pyridinyl)-3-oxocyclobutane-1-carbonitrile
CID 135564382
3-methoxy-3-(6-methoxynaphthalen-2-yl)oxetane
CID 116876018

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(3-methoxyoxetan-3-yl)pyridine?
The IUPAC name of 4-bromo-2-(3-methoxyoxetan-3-yl)pyridine (CID 164878079) is 4-bromo-2-(3-methoxyoxetan-3-yl)pyridine.
What is the SMILES notation for 4-bromo-2-(3-methoxyoxetan-3-yl)pyridine?
The canonical SMILES for 4-bromo-2-(3-methoxyoxetan-3-yl)pyridine is COC1(c2cc(Br)ccn2)COC1.
What is the InChIKey of 4-bromo-2-(3-methoxyoxetan-3-yl)pyridine?
The InChIKey is AWYUDKOQUAJBDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrNO2/c1-12-9(5-13-6-9)8-4-7(10)2-3-11-8/h2-4H,5-6H2,1H3.
What are the key properties of 4-bromo-2-(3-methoxyoxetan-3-yl)pyridine?
4-bromo-2-(3-methoxyoxetan-3-yl)pyridine has a molecular weight of 244.09 g/mol, XLogP of 1.72, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(3-methoxyoxetan-3-yl)pyridine is sourced from PubChem (CID 164878079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).