3-(azetidin-3-yl)-2-bromopyridine;dihydrochloride

C8H11BrCl2N2 — CID 146082229

IUPAC3-(azetidin-3-yl)-2-bromopyridine;dihydrochloride
SMILESBrc1ncccc1C1CNC1.Cl.Cl
InChIInChI=1S/C8H9BrN2.2ClH/c9-8-7(2-1-3-11-8)6-4-10-5-6;;/h1-3,6,10H,4-5H2;2*1H
InChIKeyKLQRVGXEWDYUNL-UHFFFAOYSA-N
MW286.00 g/mol
LogP2.37
Rot. Bonds1

About 3-(azetidin-3-yl)-2-bromopyridine;dihydrochloride

3-(azetidin-3-yl)-2-bromopyridine;dihydrochloride (PubChem CID 146082229) has the molecular formula C8H11BrCl2N2 and a molecular weight of 286.00 g/mol. Its IUPAC name is 3-(azetidin-3-yl)-2-bromopyridine;dihydrochloride.

Molecular Properties

Compound Name3-(azetidin-3-yl)-2-bromopyridine;dihydrochloride
PubChem CID146082229
Molecular FormulaC8H11BrCl2N2
Molecular Weight286.00 g/mol
Exact Mass283.95
IUPAC Name3-(azetidin-3-yl)-2-bromopyridine;dihydrochloride
SMILESBrc1ncccc1C1CNC1.Cl.Cl
InChIInChI=1S/C8H9BrN2.2ClH/c9-8-7(2-1-3-11-8)6-4-10-5-6;;/h1-3,6,10H,4-5H2;2*1H
InChIKeyKLQRVGXEWDYUNL-UHFFFAOYSA-N
XLogP2.37
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.00
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

3-(azetidin-3-yl)-2-phenylpyridine;hydrochloride
CID 67469210
2-bromo-3-[(2R)-piperidin-2-yl]pyridine;hydrochloride
CID 171195423
3-(2-bromo-3-methylphenyl)azetidine;hydrochloride
CID 172655154
3-pyrrolidin-3-ylpyridin-2-amine;hydrochloride
CID 153387419
8-pyrrolidin-3-ylquinoline;hydrochloride
CID 169498293
2-(azetidin-3-yl)-1,10-phenanthroline;hydrochloride
CID 154791527
(1S,8R)-10-azatricyclo[6.3.1.02,7]dodeca-2,4,6-triene
CID 11232816
3-bromo-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine
CID 89143858
2-(azetidin-3-yl)-3-methoxypyridine
CID 130160263
2-(azetidin-3-yloxy)-3-bromopyridine
CID 58547749
2-(azetidin-3-yl)pyridine-3-carbonitrile
CID 67323023
3-[(3R,4S)-4-methylpyrrolidin-3-yl]pyridin-2-amine
CID 171431674

Frequently Asked Questions

What is the IUPAC name of 3-(azetidin-3-yl)-2-bromopyridine;dihydrochloride?
The IUPAC name of 3-(azetidin-3-yl)-2-bromopyridine;dihydrochloride (CID 146082229) is 3-(azetidin-3-yl)-2-bromopyridine;dihydrochloride.
What is the SMILES notation for 3-(azetidin-3-yl)-2-bromopyridine;dihydrochloride?
The canonical SMILES for 3-(azetidin-3-yl)-2-bromopyridine;dihydrochloride is Brc1ncccc1C1CNC1.Cl.Cl.
What is the InChIKey of 3-(azetidin-3-yl)-2-bromopyridine;dihydrochloride?
The InChIKey is KLQRVGXEWDYUNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrN2.2ClH/c9-8-7(2-1-3-11-8)6-4-10-5-6;;/h1-3,6,10H,4-5H2;2*1H.
What are the key properties of 3-(azetidin-3-yl)-2-bromopyridine;dihydrochloride?
3-(azetidin-3-yl)-2-bromopyridine;dihydrochloride has a molecular weight of 286.00 g/mol, XLogP of 2.37, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(azetidin-3-yl)-2-bromopyridine;dihydrochloride is sourced from PubChem (CID 146082229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).