2-(3-bromo-4-methylpyrrolidin-1-yl)-6-methoxypyridine

C11H15BrN2O — CID 130921627

IUPAC2-(3-bromo-4-methylpyrrolidin-1-yl)-6-methoxypyridine
SMILESCOc1cccc(N2CC(C)C(Br)C2)n1
InChIInChI=1S/C11H15BrN2O/c1-8-6-14(7-9(8)12)10-4-3-5-11(13-10)15-2/h3-5,8-9H,6-7H2,1-2H3
InChIKeyFEYGLQGPYVEVIP-UHFFFAOYSA-N
MW271.16 g/mol
LogP2.31
Rot. Bonds2

About 2-(3-bromo-4-methylpyrrolidin-1-yl)-6-methoxypyridine

2-(3-bromo-4-methylpyrrolidin-1-yl)-6-methoxypyridine (PubChem CID 130921627) has the molecular formula C11H15BrN2O and a molecular weight of 271.16 g/mol. Its IUPAC name is 2-(3-bromo-4-methylpyrrolidin-1-yl)-6-methoxypyridine.

Molecular Properties

Compound Name2-(3-bromo-4-methylpyrrolidin-1-yl)-6-methoxypyridine
PubChem CID130921627
Molecular FormulaC11H15BrN2O
Molecular Weight271.16 g/mol
Exact Mass270.04
IUPAC Name2-(3-bromo-4-methylpyrrolidin-1-yl)-6-methoxypyridine
SMILESCOc1cccc(N2CC(C)C(Br)C2)n1
InChIInChI=1S/C11H15BrN2O/c1-8-6-14(7-9(8)12)10-4-3-5-11(13-10)15-2/h3-5,8-9H,6-7H2,1-2H3
InChIKeyFEYGLQGPYVEVIP-UHFFFAOYSA-N
XLogP2.31
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.16
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(3-chloropyrrolidin-1-yl)-6-methoxypyridine
CID 63587814
2-methoxy-6-(4-methylidenepiperidin-1-yl)pyridine
CID 175648058
[4-(6-methoxy-2-pyridinyl)-6,6-dimethylmorpholin-2-yl]methanamine
CID 114782322
1-(6-methoxy-2-pyridinyl)-N-methylpiperidin-4-amine
CID 63591617
2-[(4-bromo-3-methylpiperidin-1-yl)methyl]-6-methoxypyridine
CID 114682535
1-[1-(6-methoxy-2-pyridinyl)pyrrolidin-3-yl]piperidin-4-amine
CID 80553095
2-[3-(2-chloroethyl)piperidin-1-yl]-6-methoxypyridine
CID 55212396
methyl 1-(6-methoxy-2-pyridinyl)piperidine-3-carboxylate
CID 113331246
2-(4,4-difluoropiperidin-1-yl)-6-methoxypyridine
CID 169116672
1-[1-(6-methoxy-2-pyridinyl)piperidin-4-yl]ethanol
CID 106837299
4-(6-methoxy-2-pyridinyl)piperazine-1-carboxylic acid
CID 91502477
1-(4-fluorophenyl)-4-(6-methoxy-2-pyridinyl)piperazine
CID 155976125

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-4-methylpyrrolidin-1-yl)-6-methoxypyridine?
The IUPAC name of 2-(3-bromo-4-methylpyrrolidin-1-yl)-6-methoxypyridine (CID 130921627) is 2-(3-bromo-4-methylpyrrolidin-1-yl)-6-methoxypyridine.
What is the SMILES notation for 2-(3-bromo-4-methylpyrrolidin-1-yl)-6-methoxypyridine?
The canonical SMILES for 2-(3-bromo-4-methylpyrrolidin-1-yl)-6-methoxypyridine is COc1cccc(N2CC(C)C(Br)C2)n1.
What is the InChIKey of 2-(3-bromo-4-methylpyrrolidin-1-yl)-6-methoxypyridine?
The InChIKey is FEYGLQGPYVEVIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O/c1-8-6-14(7-9(8)12)10-4-3-5-11(13-10)15-2/h3-5,8-9H,6-7H2,1-2H3.
What are the key properties of 2-(3-bromo-4-methylpyrrolidin-1-yl)-6-methoxypyridine?
2-(3-bromo-4-methylpyrrolidin-1-yl)-6-methoxypyridine has a molecular weight of 271.16 g/mol, XLogP of 2.31, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-4-methylpyrrolidin-1-yl)-6-methoxypyridine is sourced from PubChem (CID 130921627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).