3-bromo-6-(3,3-difluoroazetidin-1-yl)-2-methylpyridine

C9H9BrF2N2 — CID 154827607

IUPAC3-bromo-6-(3,3-difluoroazetidin-1-yl)-2-methylpyridine
SMILESCc1nc(N2CC(F)(F)C2)ccc1Br
InChIInChI=1S/C9H9BrF2N2/c1-6-7(10)2-3-8(13-6)14-4-9(11,12)5-14/h2-3H,4-5H2,1H3
InChIKeyGUHXBEOEOZIXQE-UHFFFAOYSA-N
MW263.08 g/mol
LogP2.61
Rot. Bonds1

About 3-bromo-6-(3,3-difluoroazetidin-1-yl)-2-methylpyridine

3-bromo-6-(3,3-difluoroazetidin-1-yl)-2-methylpyridine (PubChem CID 154827607) has the molecular formula C9H9BrF2N2 and a molecular weight of 263.08 g/mol. Its IUPAC name is 3-bromo-6-(3,3-difluoroazetidin-1-yl)-2-methylpyridine.

Molecular Properties

Compound Name3-bromo-6-(3,3-difluoroazetidin-1-yl)-2-methylpyridine
PubChem CID154827607
Molecular FormulaC9H9BrF2N2
Molecular Weight263.08 g/mol
Exact Mass261.99
IUPAC Name3-bromo-6-(3,3-difluoroazetidin-1-yl)-2-methylpyridine
SMILESCc1nc(N2CC(F)(F)C2)ccc1Br
InChIInChI=1S/C9H9BrF2N2/c1-6-7(10)2-3-8(13-6)14-4-9(11,12)5-14/h2-3H,4-5H2,1H3
InChIKeyGUHXBEOEOZIXQE-UHFFFAOYSA-N
XLogP2.61
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.08
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-bromo-6-methyl-2-pyridinyl)-3-cyclopropylazetidin-3-ol
CID 106545780
5-(5-bromo-6-methyl-2-pyridinyl)-5-azaspiro[2.5]octane
CID 133481074
1-(5-bromo-6-methyl-2-pyridinyl)-4-ethylpiperazine
CID 75487705
4-(5-bromo-6-methyl-2-pyridinyl)-2,2-diethyl-1,4-thiazinane 1-oxide
CID 133479522
2-(3,3-difluoroazetidin-1-yl)-6-iodopyridine
CID 147432455
ethyl 4-(5-bromo-6-methyl-2-pyridinyl)piperazine-1-carboxylate
CID 103915053
1-(5-bromo-6-methyl-2-pyridinyl)piperidine-3-carboxylic acid
CID 120964839
1-(5-bromo-6-methyl-2-pyridinyl)-4-propylazepane
CID 114047629
4-(5-bromo-6-methyl-2-pyridinyl)-1-(2,2-difluoroethyl)-2-ethylpiperazine
CID 133452010
(2R)-1-(5-bromo-6-methyl-2-pyridinyl)pyrrolidine-2-carboxylic acid
CID 120965105
2-(5-bromo-6-methyl-2-pyridinyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 79049131
6-(4,4-difluoropiperidin-1-yl)-3-ethenyl-2-methylpyridine
CID 168665760

Frequently Asked Questions

What is the IUPAC name of 3-bromo-6-(3,3-difluoroazetidin-1-yl)-2-methylpyridine?
The IUPAC name of 3-bromo-6-(3,3-difluoroazetidin-1-yl)-2-methylpyridine (CID 154827607) is 3-bromo-6-(3,3-difluoroazetidin-1-yl)-2-methylpyridine.
What is the SMILES notation for 3-bromo-6-(3,3-difluoroazetidin-1-yl)-2-methylpyridine?
The canonical SMILES for 3-bromo-6-(3,3-difluoroazetidin-1-yl)-2-methylpyridine is Cc1nc(N2CC(F)(F)C2)ccc1Br.
What is the InChIKey of 3-bromo-6-(3,3-difluoroazetidin-1-yl)-2-methylpyridine?
The InChIKey is GUHXBEOEOZIXQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrF2N2/c1-6-7(10)2-3-8(13-6)14-4-9(11,12)5-14/h2-3H,4-5H2,1H3.
What are the key properties of 3-bromo-6-(3,3-difluoroazetidin-1-yl)-2-methylpyridine?
3-bromo-6-(3,3-difluoroazetidin-1-yl)-2-methylpyridine has a molecular weight of 263.08 g/mol, XLogP of 2.61, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-6-(3,3-difluoroazetidin-1-yl)-2-methylpyridine is sourced from PubChem (CID 154827607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).