2-(3-bromo-4-methylpyrrolidin-1-yl)-4-methylpyridine

C11H15BrN2 — CID 130948414

IUPAC2-(3-bromo-4-methylpyrrolidin-1-yl)-4-methylpyridine
SMILESCc1ccnc(N2CC(C)C(Br)C2)c1
InChIInChI=1S/C11H15BrN2/c1-8-3-4-13-11(5-8)14-6-9(2)10(12)7-14/h3-5,9-10H,6-7H2,1-2H3
InChIKeyFMBOGGIPDWMGKX-UHFFFAOYSA-N
MW255.16 g/mol
LogP2.61
Rot. Bonds1

About 2-(3-bromo-4-methylpyrrolidin-1-yl)-4-methylpyridine

2-(3-bromo-4-methylpyrrolidin-1-yl)-4-methylpyridine (PubChem CID 130948414) has the molecular formula C11H15BrN2 and a molecular weight of 255.16 g/mol. Its IUPAC name is 2-(3-bromo-4-methylpyrrolidin-1-yl)-4-methylpyridine.

Molecular Properties

Compound Name2-(3-bromo-4-methylpyrrolidin-1-yl)-4-methylpyridine
PubChem CID130948414
Molecular FormulaC11H15BrN2
Molecular Weight255.16 g/mol
Exact Mass254.04
IUPAC Name2-(3-bromo-4-methylpyrrolidin-1-yl)-4-methylpyridine
SMILESCc1ccnc(N2CC(C)C(Br)C2)c1
InChIInChI=1S/C11H15BrN2/c1-8-3-4-13-11(5-8)14-6-9(2)10(12)7-14/h3-5,9-10H,6-7H2,1-2H3
InChIKeyFMBOGGIPDWMGKX-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 ≤ 500255.16
LogP ≤ 52.61
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-methyl-1-(4-methyl-2-pyridinyl)piperidin-4-amine
CID 79868133
3-(4-methyl-2-pyridinyl)-8-oxa-3-azabicyclo[3.2.1]octane
CID 164926889
2-[1-(4-methyl-2-pyridinyl)azetidin-3-yl]propan-2-ol
CID 164586756
1-(4-methyl-2-pyridinyl)pyrrolidin-3-ol
CID 62917147
[4-methyl-1-(4-methyl-2-pyridinyl)piperidin-3-yl]methanamine
CID 114961622
1-[1-(4-methyl-2-pyridinyl)azetidin-3-yl]pyrrolidine-2,5-dione
CID 121183869
N-methyl-1-(4-methyl-2-pyridinyl)piperidin-3-amine
CID 62547429
2-(bromomethyl)-4-(4-methyl-2-pyridinyl)morpholine
CID 81211013
(2S)-2-methyl-4-(4-methyl-2-pyridinyl)-1-methylsulfonylpiperazine
CID 91647017
[(3S)-1-(4-methyl-2-pyridinyl)pyrrolidin-3-yl]methanol
CID 94407847
ethane;2-(3-ethylpyrrolidin-1-yl)-4-methylpyridine
CID 170578415
5-methyl-1-(4-methyl-2-pyridinyl)azonane
CID 123292959

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-4-methylpyrrolidin-1-yl)-4-methylpyridine?
The IUPAC name of 2-(3-bromo-4-methylpyrrolidin-1-yl)-4-methylpyridine (CID 130948414) is 2-(3-bromo-4-methylpyrrolidin-1-yl)-4-methylpyridine.
What is the SMILES notation for 2-(3-bromo-4-methylpyrrolidin-1-yl)-4-methylpyridine?
The canonical SMILES for 2-(3-bromo-4-methylpyrrolidin-1-yl)-4-methylpyridine is Cc1ccnc(N2CC(C)C(Br)C2)c1.
What is the InChIKey of 2-(3-bromo-4-methylpyrrolidin-1-yl)-4-methylpyridine?
The InChIKey is FMBOGGIPDWMGKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2/c1-8-3-4-13-11(5-8)14-6-9(2)10(12)7-14/h3-5,9-10H,6-7H2,1-2H3.
What are the key properties of 2-(3-bromo-4-methylpyrrolidin-1-yl)-4-methylpyridine?
2-(3-bromo-4-methylpyrrolidin-1-yl)-4-methylpyridine has a molecular weight of 255.16 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 2-(3-bromo-4-methylpyrrolidin-1-yl)-4-methylpyridine is sourced from PubChem (CID 130948414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).