3-bromo-5-[(3-methoxyazetidin-1-yl)methyl]pyridine

C10H13BrN2O — CID 130159726

IUPAC3-bromo-5-[(3-methoxyazetidin-1-yl)methyl]pyridine
SMILESCOC1CN(Cc2cncc(Br)c2)C1
InChIInChI=1S/C10H13BrN2O/c1-14-10-6-13(7-10)5-8-2-9(11)4-12-3-8/h2-4,10H,5-7H2,1H3
InChIKeyOYCMVPUOVNKFRN-UHFFFAOYSA-N
MW257.13 g/mol
LogP1.67
Rot. Bonds3

About 3-bromo-5-[(3-methoxyazetidin-1-yl)methyl]pyridine

3-bromo-5-[(3-methoxyazetidin-1-yl)methyl]pyridine (PubChem CID 130159726) has the molecular formula C10H13BrN2O and a molecular weight of 257.13 g/mol. Its IUPAC name is 3-bromo-5-[(3-methoxyazetidin-1-yl)methyl]pyridine.

Molecular Properties

Compound Name3-bromo-5-[(3-methoxyazetidin-1-yl)methyl]pyridine
PubChem CID130159726
Molecular FormulaC10H13BrN2O
Molecular Weight257.13 g/mol
Exact Mass256.02
IUPAC Name3-bromo-5-[(3-methoxyazetidin-1-yl)methyl]pyridine
SMILESCOC1CN(Cc2cncc(Br)c2)C1
InChIInChI=1S/C10H13BrN2O/c1-14-10-6-13(7-10)5-8-2-9(11)4-12-3-8/h2-4,10H,5-7H2,1H3
InChIKeyOYCMVPUOVNKFRN-UHFFFAOYSA-N
XLogP1.67
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.13
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(5-bromo-3-pyridinyl)methyl]-4-methylpyrrolidin-3-ol
CID 130770082
3-[(3-methoxyazetidin-1-yl)methyl]-5-prop-1-en-2-ylpyridine
CID 123637445
3-bromo-5-[[3-(fluoromethyl)azetidin-1-yl]methyl]pyridine
CID 171993882
1-[(3-bromophenyl)methyl]-3-methoxyazetidine
CID 130548246
7-[(5-bromo-3-pyridinyl)methyl]-7-azabicyclo[2.2.1]heptane
CID 130956415
1-[(5-bromo-3-pyridinyl)methyl]azocane
CID 115580857
1-[(5-bromothiophen-3-yl)methyl]-3-methoxyazetidine
CID 130703844
3-bromo-5-[(4-tert-butylpiperidin-1-yl)methyl]pyridine
CID 115630376
3-bromo-5-[(4-chloro-3-methylpiperidin-1-yl)methyl]pyridine
CID 114682308
6-benzyl-3-[(5-bromo-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptane
CID 172906024
[1-[(5-bromo-3-pyridinyl)methyl]pyrrolidin-3-yl]methanamine
CID 115741359
1-(2-bromoethyl)-4-[(5-bromo-3-pyridinyl)methyl]piperazine
CID 104811250

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-[(3-methoxyazetidin-1-yl)methyl]pyridine?
The IUPAC name of 3-bromo-5-[(3-methoxyazetidin-1-yl)methyl]pyridine (CID 130159726) is 3-bromo-5-[(3-methoxyazetidin-1-yl)methyl]pyridine.
What is the SMILES notation for 3-bromo-5-[(3-methoxyazetidin-1-yl)methyl]pyridine?
The canonical SMILES for 3-bromo-5-[(3-methoxyazetidin-1-yl)methyl]pyridine is COC1CN(Cc2cncc(Br)c2)C1.
What is the InChIKey of 3-bromo-5-[(3-methoxyazetidin-1-yl)methyl]pyridine?
The InChIKey is OYCMVPUOVNKFRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2O/c1-14-10-6-13(7-10)5-8-2-9(11)4-12-3-8/h2-4,10H,5-7H2,1H3.
What are the key properties of 3-bromo-5-[(3-methoxyazetidin-1-yl)methyl]pyridine?
3-bromo-5-[(3-methoxyazetidin-1-yl)methyl]pyridine has a molecular weight of 257.13 g/mol, XLogP of 1.67, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-[(3-methoxyazetidin-1-yl)methyl]pyridine is sourced from PubChem (CID 130159726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).