5-[(2R)-azetidin-2-yl]-2-bromo-3-methylpyridine

C9H11BrN2 — CID 130618622

IUPAC5-[(2R)-azetidin-2-yl]-2-bromo-3-methylpyridine
SMILESCc1cc([C@H]2CCN2)cnc1Br
InChIInChI=1S/C9H11BrN2/c1-6-4-7(5-12-9(6)10)8-2-3-11-8/h4-5,8,11H,2-3H2,1H3/t8-/m1/s1
InChIKeyCQOFJELNMIPTRF-MRVPVSSYSA-N
MW227.10 g/mol
LogP2.19
Rot. Bonds1

About 5-[(2R)-azetidin-2-yl]-2-bromo-3-methylpyridine

5-[(2R)-azetidin-2-yl]-2-bromo-3-methylpyridine (PubChem CID 130618622) has the molecular formula C9H11BrN2 and a molecular weight of 227.10 g/mol. Its IUPAC name is 5-[(2R)-azetidin-2-yl]-2-bromo-3-methylpyridine.

Molecular Properties

Compound Name5-[(2R)-azetidin-2-yl]-2-bromo-3-methylpyridine
PubChem CID130618622
Molecular FormulaC9H11BrN2
Molecular Weight227.10 g/mol
Exact Mass226.01
IUPAC Name5-[(2R)-azetidin-2-yl]-2-bromo-3-methylpyridine
SMILESCc1cc([C@H]2CCN2)cnc1Br
InChIInChI=1S/C9H11BrN2/c1-6-4-7(5-12-9(6)10)8-2-3-11-8/h4-5,8,11H,2-3H2,1H3/t8-/m1/s1
InChIKeyCQOFJELNMIPTRF-MRVPVSSYSA-N
XLogP2.19
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.10
LogP ≤ 52.19
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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Frequently Asked Questions

What is the IUPAC name of 5-[(2R)-azetidin-2-yl]-2-bromo-3-methylpyridine?
The IUPAC name of 5-[(2R)-azetidin-2-yl]-2-bromo-3-methylpyridine (CID 130618622) is 5-[(2R)-azetidin-2-yl]-2-bromo-3-methylpyridine.
What is the SMILES notation for 5-[(2R)-azetidin-2-yl]-2-bromo-3-methylpyridine?
The canonical SMILES for 5-[(2R)-azetidin-2-yl]-2-bromo-3-methylpyridine is Cc1cc([C@H]2CCN2)cnc1Br.
What is the InChIKey of 5-[(2R)-azetidin-2-yl]-2-bromo-3-methylpyridine?
The InChIKey is CQOFJELNMIPTRF-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H11BrN2/c1-6-4-7(5-12-9(6)10)8-2-3-11-8/h4-5,8,11H,2-3H2,1H3/t8-/m1/s1.
What are the key properties of 5-[(2R)-azetidin-2-yl]-2-bromo-3-methylpyridine?
5-[(2R)-azetidin-2-yl]-2-bromo-3-methylpyridine has a molecular weight of 227.10 g/mol, XLogP of 2.19, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2R)-azetidin-2-yl]-2-bromo-3-methylpyridine is sourced from PubChem (CID 130618622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).