3-bromo-2-(4-bromo-3,3-dimethylpyrrolidin-1-yl)pyridine

C11H14Br2N2 — CID 131052543

IUPAC3-bromo-2-(4-bromo-3,3-dimethylpyrrolidin-1-yl)pyridine
SMILESCC1(C)CN(c2ncccc2Br)CC1Br
InChIInChI=1S/C11H14Br2N2/c1-11(2)7-15(6-9(11)13)10-8(12)4-3-5-14-10/h3-5,9H,6-7H2,1-2H3
InChIKeyLTFFKSNDDLAHEM-UHFFFAOYSA-N
MW334.06 g/mol
LogP3.45
Rot. Bonds1

About 3-bromo-2-(4-bromo-3,3-dimethylpyrrolidin-1-yl)pyridine

3-bromo-2-(4-bromo-3,3-dimethylpyrrolidin-1-yl)pyridine (PubChem CID 131052543) has the molecular formula C11H14Br2N2 and a molecular weight of 334.06 g/mol. Its IUPAC name is 3-bromo-2-(4-bromo-3,3-dimethylpyrrolidin-1-yl)pyridine.

Molecular Properties

Compound Name3-bromo-2-(4-bromo-3,3-dimethylpyrrolidin-1-yl)pyridine
PubChem CID131052543
Molecular FormulaC11H14Br2N2
Molecular Weight334.06 g/mol
Exact Mass331.95
IUPAC Name3-bromo-2-(4-bromo-3,3-dimethylpyrrolidin-1-yl)pyridine
SMILESCC1(C)CN(c2ncccc2Br)CC1Br
InChIInChI=1S/C11H14Br2N2/c1-11(2)7-15(6-9(11)13)10-8(12)4-3-5-14-10/h3-5,9H,6-7H2,1-2H3
InChIKeyLTFFKSNDDLAHEM-UHFFFAOYSA-N
XLogP3.45
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.06
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

3-bromo-2-(4,4-dimethylpiperidin-1-yl)pyridine
CID 55209852
3-bromo-2-pyrrolidin-1-ylpyridine
CID 46739525
1-(3-bromo-2-pyridinyl)-3-methylpiperazine
CID 62478564
1-(3-bromo-2-pyridinyl)-N,N-dimethylpyrrolidin-3-amine
CID 63174837
3-bromo-2-(3,3-difluoropyrrolidin-1-yl)pyridine
CID 86810762
3-bromo-2-(4-methoxypiperidin-1-yl)pyridine
CID 61375060
3-bromo-2-(3-chloro-4-methylpiperidin-1-yl)pyridine
CID 102960861
5-(3-bromo-2-pyridinyl)-1,2,5-dithiazepane
CID 131101938
6-(3-bromo-2-pyridinyl)-6-azaspiro[3.4]octane
CID 130994092
1-(3-bromo-2-pyridinyl)-4-hydroxypiperidine-4-carboxylic acid
CID 69227330
3-bromo-2-[3-(bromomethyl)pyrrolidin-1-yl]pyridine
CID 80679963
1-[1-(3-bromo-2-pyridinyl)azetidin-3-yl]piperazine
CID 66196786

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-(4-bromo-3,3-dimethylpyrrolidin-1-yl)pyridine?
The IUPAC name of 3-bromo-2-(4-bromo-3,3-dimethylpyrrolidin-1-yl)pyridine (CID 131052543) is 3-bromo-2-(4-bromo-3,3-dimethylpyrrolidin-1-yl)pyridine.
What is the SMILES notation for 3-bromo-2-(4-bromo-3,3-dimethylpyrrolidin-1-yl)pyridine?
The canonical SMILES for 3-bromo-2-(4-bromo-3,3-dimethylpyrrolidin-1-yl)pyridine is CC1(C)CN(c2ncccc2Br)CC1Br.
What is the InChIKey of 3-bromo-2-(4-bromo-3,3-dimethylpyrrolidin-1-yl)pyridine?
The InChIKey is LTFFKSNDDLAHEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Br2N2/c1-11(2)7-15(6-9(11)13)10-8(12)4-3-5-14-10/h3-5,9H,6-7H2,1-2H3.
What are the key properties of 3-bromo-2-(4-bromo-3,3-dimethylpyrrolidin-1-yl)pyridine?
3-bromo-2-(4-bromo-3,3-dimethylpyrrolidin-1-yl)pyridine has a molecular weight of 334.06 g/mol, XLogP of 3.45, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-(4-bromo-3,3-dimethylpyrrolidin-1-yl)pyridine is sourced from PubChem (CID 131052543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).