3-bromo-5-(3-ethoxyazetidin-1-yl)pyridine

C10H13BrN2O — CID 131007918

IUPAC3-bromo-5-(3-ethoxyazetidin-1-yl)pyridine
SMILESCCOC1CN(c2cncc(Br)c2)C1
InChIInChI=1S/C10H13BrN2O/c1-2-14-10-6-13(7-10)9-3-8(11)4-12-5-9/h3-5,10H,2,6-7H2,1H3
InChIKeyQWVADDOIXUDPMS-UHFFFAOYSA-N
MW257.13 g/mol
LogP2.07
Rot. Bonds3

About 3-bromo-5-(3-ethoxyazetidin-1-yl)pyridine

3-bromo-5-(3-ethoxyazetidin-1-yl)pyridine (PubChem CID 131007918) has the molecular formula C10H13BrN2O and a molecular weight of 257.13 g/mol. Its IUPAC name is 3-bromo-5-(3-ethoxyazetidin-1-yl)pyridine.

Molecular Properties

Compound Name3-bromo-5-(3-ethoxyazetidin-1-yl)pyridine
PubChem CID131007918
Molecular FormulaC10H13BrN2O
Molecular Weight257.13 g/mol
Exact Mass256.02
IUPAC Name3-bromo-5-(3-ethoxyazetidin-1-yl)pyridine
SMILESCCOC1CN(c2cncc(Br)c2)C1
InChIInChI=1S/C10H13BrN2O/c1-2-14-10-6-13(7-10)9-3-8(11)4-12-5-9/h3-5,10H,2,6-7H2,1H3
InChIKeyQWVADDOIXUDPMS-UHFFFAOYSA-N
XLogP2.07
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 ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-5-(3-propoxypiperidin-1-yl)pyridine
CID 112695219
2-(5-bromo-3-pyridinyl)-1,3,3a,4,7,7a-hexahydroisoindole
CID 133322900
5-bromo-2-(3-ethoxyazetidin-1-yl)pyridine
CID 130815994
[(3S)-1-(5-bromo-3-pyridinyl)pyrrolidin-3-yl]oxy-tert-butyl-dimethylsilane
CID 86686011
1-(5-bromo-3-pyridinyl)-4-propylpiperazine
CID 115657003
1-[1-(5-bromo-3-pyridinyl)piperidin-4-yl]ethanol
CID 71871118
ethyl N-[(3R)-1-(5-bromo-3-pyridinyl)piperidin-3-yl]carbamate
CID 97029184
1-[1-(5-bromo-3-pyridinyl)piperidin-4-yl]-N,N-dimethylmethanamine
CID 112695195
1-(5-bromo-3-pyridinyl)piperidin-4-amine
CID 70343493
1-(5-bromo-3-pyridinyl)-4-(2,2,2-trifluoroethyl)piperazine
CID 112695175
2-[1-(5-bromo-3-pyridinyl)pyrrolidin-3-yl]oxy-5-(trifluoromethyl)pyridine
CID 133446292
3-bromo-5-(2-ethylpyrrolidin-1-yl)pyridine
CID 104531587

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-(3-ethoxyazetidin-1-yl)pyridine?
The IUPAC name of 3-bromo-5-(3-ethoxyazetidin-1-yl)pyridine (CID 131007918) is 3-bromo-5-(3-ethoxyazetidin-1-yl)pyridine.
What is the SMILES notation for 3-bromo-5-(3-ethoxyazetidin-1-yl)pyridine?
The canonical SMILES for 3-bromo-5-(3-ethoxyazetidin-1-yl)pyridine is CCOC1CN(c2cncc(Br)c2)C1.
What is the InChIKey of 3-bromo-5-(3-ethoxyazetidin-1-yl)pyridine?
The InChIKey is QWVADDOIXUDPMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2O/c1-2-14-10-6-13(7-10)9-3-8(11)4-12-5-9/h3-5,10H,2,6-7H2,1H3.
What are the key properties of 3-bromo-5-(3-ethoxyazetidin-1-yl)pyridine?
3-bromo-5-(3-ethoxyazetidin-1-yl)pyridine has a molecular weight of 257.13 g/mol, XLogP of 2.07, 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-ethoxyazetidin-1-yl)pyridine is sourced from PubChem (CID 131007918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).