3-[(2R)-azetidin-2-yl]-5-bromo-2-fluoro-4-methylpyridine

C9H10BrFN2 — CID 130656179

IUPAC3-[(2R)-azetidin-2-yl]-5-bromo-2-fluoro-4-methylpyridine
SMILESCc1c(Br)cnc(F)c1[C@H]1CCN1
InChIInChI=1S/C9H10BrFN2/c1-5-6(10)4-13-9(11)8(5)7-2-3-12-7/h4,7,12H,2-3H2,1H3/t7-/m1/s1
InChIKeyVOSIJOHJPMDUBM-SSDOTTSWSA-N
MW245.09 g/mol
LogP2.33
Rot. Bonds1

About 3-[(2R)-azetidin-2-yl]-5-bromo-2-fluoro-4-methylpyridine

3-[(2R)-azetidin-2-yl]-5-bromo-2-fluoro-4-methylpyridine (PubChem CID 130656179) has the molecular formula C9H10BrFN2 and a molecular weight of 245.09 g/mol. Its IUPAC name is 3-[(2R)-azetidin-2-yl]-5-bromo-2-fluoro-4-methylpyridine.

Molecular Properties

Compound Name3-[(2R)-azetidin-2-yl]-5-bromo-2-fluoro-4-methylpyridine
PubChem CID130656179
Molecular FormulaC9H10BrFN2
Molecular Weight245.09 g/mol
Exact Mass244.00
IUPAC Name3-[(2R)-azetidin-2-yl]-5-bromo-2-fluoro-4-methylpyridine
SMILESCc1c(Br)cnc(F)c1[C@H]1CCN1
InChIInChI=1S/C9H10BrFN2/c1-5-6(10)4-13-9(11)8(5)7-2-3-12-7/h4,7,12H,2-3H2,1H3/t7-/m1/s1
InChIKeyVOSIJOHJPMDUBM-SSDOTTSWSA-N
XLogP2.33
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.09
LogP ≤ 52.33
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

5-[(2R)-azetidin-2-yl]-2-fluoro-3-methylpyridine
CID 131197527
2-(2,3,4,5,6-pentafluorophenyl)azetidine
CID 71751503
2-(3-bromo-2,6-difluorophenyl)azetidine
CID 130061365
(2R)-2-(2-bromo-6-fluorophenyl)azetidine;hydrochloride
CID 171197230
2-[(2S)-azetidin-2-yl]-4,6-dibromo-3-fluoroaniline
CID 131190603
5-[(2R)-azetidin-2-yl]-2-bromo-3-methylpyridine
CID 130618622
(2R)-2-(2,4,6-trimethylphenyl)azetidine;hydrochloride
CID 171197280
2-[(2S)-azetidin-2-yl]-3-bromo-5,6-difluorophenol
CID 130700324
3-[(2S)-azetidin-2-yl]-2,5-difluoro-4-methylphenol
CID 55271364
(2S)-2-(2,3,5,6-tetrafluorophenyl)azetidine
CID 130618246
2-fluoro-3-methyl-5-[(2S)-piperidin-2-yl]pyridine
CID 55276215
2-(azetidin-2-yl)-6-bromo-4-fluorophenol
CID 131124098

Frequently Asked Questions

What is the IUPAC name of 3-[(2R)-azetidin-2-yl]-5-bromo-2-fluoro-4-methylpyridine?
The IUPAC name of 3-[(2R)-azetidin-2-yl]-5-bromo-2-fluoro-4-methylpyridine (CID 130656179) is 3-[(2R)-azetidin-2-yl]-5-bromo-2-fluoro-4-methylpyridine.
What is the SMILES notation for 3-[(2R)-azetidin-2-yl]-5-bromo-2-fluoro-4-methylpyridine?
The canonical SMILES for 3-[(2R)-azetidin-2-yl]-5-bromo-2-fluoro-4-methylpyridine is Cc1c(Br)cnc(F)c1[C@H]1CCN1.
What is the InChIKey of 3-[(2R)-azetidin-2-yl]-5-bromo-2-fluoro-4-methylpyridine?
The InChIKey is VOSIJOHJPMDUBM-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H10BrFN2/c1-5-6(10)4-13-9(11)8(5)7-2-3-12-7/h4,7,12H,2-3H2,1H3/t7-/m1/s1.
What are the key properties of 3-[(2R)-azetidin-2-yl]-5-bromo-2-fluoro-4-methylpyridine?
3-[(2R)-azetidin-2-yl]-5-bromo-2-fluoro-4-methylpyridine has a molecular weight of 245.09 g/mol, XLogP of 2.33, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R)-azetidin-2-yl]-5-bromo-2-fluoro-4-methylpyridine is sourced from PubChem (CID 130656179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).