2-[(2S)-azetidin-2-yl]-5-bromopyridine

C8H9BrN2 — CID 131039507

IUPAC2-[(2S)-azetidin-2-yl]-5-bromopyridine
SMILESBrc1ccc([C@@H]2CCN2)nc1
InChIInChI=1S/C8H9BrN2/c9-6-1-2-7(11-5-6)8-3-4-10-8/h1-2,5,8,10H,3-4H2/t8-/m0/s1
InChIKeyMVQFIBJIMRQHRZ-QMMMGPOBSA-N
MW213.08 g/mol
LogP1.88
Rot. Bonds1

About 2-[(2S)-azetidin-2-yl]-5-bromopyridine

2-[(2S)-azetidin-2-yl]-5-bromopyridine (PubChem CID 131039507) has the molecular formula C8H9BrN2 and a molecular weight of 213.08 g/mol. Its IUPAC name is 2-[(2S)-azetidin-2-yl]-5-bromopyridine.

Molecular Properties

Compound Name2-[(2S)-azetidin-2-yl]-5-bromopyridine
PubChem CID131039507
Molecular FormulaC8H9BrN2
Molecular Weight213.08 g/mol
Exact Mass211.99
IUPAC Name2-[(2S)-azetidin-2-yl]-5-bromopyridine
SMILESBrc1ccc([C@@H]2CCN2)nc1
InChIInChI=1S/C8H9BrN2/c9-6-1-2-7(11-5-6)8-3-4-10-8/h1-2,5,8,10H,3-4H2/t8-/m0/s1
InChIKeyMVQFIBJIMRQHRZ-QMMMGPOBSA-N
XLogP1.88
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.08
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(azetidin-2-yl)-5-bromopyridine
CID 112693368
5-bromo-2-pyrrolidin-2-ylpyridine
CID 67294409
5-bromo-2-pyrrolidin-2-ylpyridine;hydrochloride
CID 118998863
5-bromo-2-[(2S)-piperidin-2-yl]pyridine;hydrochloride
CID 171194911
[3-(5-bromo-2-pyridinyl)pyrrolidin-2-yl]methanol
CID 130566235
5-bromo-2-(thian-4-yl)pyridine
CID 155970460
5-bromo-2-(oxetan-2-yl)pyridine
CID 158241460
(2S)-2-(4-bromophenyl)azetidine
CID 91980119
2-[(2R)-azetidin-2-yl]pyridine;hydrochloride
CID 171197160
methyl 6-[(2R)-azetidin-2-yl]pyridine-3-carboxylate
CID 55296832
3-(5-bromo-2-pyridinyl)cyclobutan-1-one
CID 146082553
2-[(2S)-azetidin-2-yl]-5-bromopyridin-3-ol
CID 131190620

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-azetidin-2-yl]-5-bromopyridine?
The IUPAC name of 2-[(2S)-azetidin-2-yl]-5-bromopyridine (CID 131039507) is 2-[(2S)-azetidin-2-yl]-5-bromopyridine.
What is the SMILES notation for 2-[(2S)-azetidin-2-yl]-5-bromopyridine?
The canonical SMILES for 2-[(2S)-azetidin-2-yl]-5-bromopyridine is Brc1ccc([C@@H]2CCN2)nc1.
What is the InChIKey of 2-[(2S)-azetidin-2-yl]-5-bromopyridine?
The InChIKey is MVQFIBJIMRQHRZ-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H9BrN2/c9-6-1-2-7(11-5-6)8-3-4-10-8/h1-2,5,8,10H,3-4H2/t8-/m0/s1.
What are the key properties of 2-[(2S)-azetidin-2-yl]-5-bromopyridine?
2-[(2S)-azetidin-2-yl]-5-bromopyridine has a molecular weight of 213.08 g/mol, XLogP of 1.88, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-azetidin-2-yl]-5-bromopyridine is sourced from PubChem (CID 131039507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).