5-bromo-2-[2-(bromomethyl)piperidin-1-yl]-3-methylpyridine

C12H16Br2N2 — CID 80676805

IUPAC5-bromo-2-[2-(bromomethyl)piperidin-1-yl]-3-methylpyridine
SMILESCc1cc(Br)cnc1N1CCCCC1CBr
InChIInChI=1S/C12H16Br2N2/c1-9-6-10(14)8-15-12(9)16-5-3-2-4-11(16)7-13/h6,8,11H,2-5,7H2,1H3
InChIKeyUEYAGVUDLWRLQL-UHFFFAOYSA-N
MW348.08 g/mol
LogP3.91
Rot. Bonds2

About 5-bromo-2-[2-(bromomethyl)piperidin-1-yl]-3-methylpyridine

5-bromo-2-[2-(bromomethyl)piperidin-1-yl]-3-methylpyridine (PubChem CID 80676805) has the molecular formula C12H16Br2N2 and a molecular weight of 348.08 g/mol. Its IUPAC name is 5-bromo-2-[2-(bromomethyl)piperidin-1-yl]-3-methylpyridine.

Molecular Properties

Compound Name5-bromo-2-[2-(bromomethyl)piperidin-1-yl]-3-methylpyridine
PubChem CID80676805
Molecular FormulaC12H16Br2N2
Molecular Weight348.08 g/mol
Exact Mass345.97
IUPAC Name5-bromo-2-[2-(bromomethyl)piperidin-1-yl]-3-methylpyridine
SMILESCc1cc(Br)cnc1N1CCCCC1CBr
InChIInChI=1S/C12H16Br2N2/c1-9-6-10(14)8-15-12(9)16-5-3-2-4-11(16)7-13/h6,8,11H,2-5,7H2,1H3
InChIKeyUEYAGVUDLWRLQL-UHFFFAOYSA-N
XLogP3.91
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.08
LogP ≤ 53.91
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

2-[1-(5-bromo-3-methyl-2-pyridinyl)piperidin-2-yl]ethanamine
CID 79718017
5-bromo-2-[2-(3-chloropropyl)pyrrolidin-1-yl]-3-methylpyridine
CID 79718453
2-[2-(bromomethyl)piperidin-1-yl]-3-methylpyrazine
CID 83063668
2-(chloromethyl)-1-(3,5-dibromo-2-pyridinyl)azepane
CID 116638871
5-bromo-2-(2-propylpiperidin-1-yl)pyridin-3-amine
CID 83052128
5-bromo-3-methyl-2-(2-phenylpyrrolidin-1-yl)pyridine
CID 112697443
5-(bromomethyl)-3-methyl-2-(2-methylpiperidin-1-yl)pyridine
CID 107078920
5-bromo-3-chloro-2-(2-ethylpyrrolidin-1-yl)pyridine
CID 103583016
[1-(5-bromo-3-methyl-2-pyridinyl)-4-methoxypiperidin-2-yl]methanamine
CID 112622897
ethyl 1-(5-bromo-3-methyl-2-pyridinyl)pyrrolidine-2-carboxylate
CID 79718437
N-[[5-bromo-2-(2-propylpiperidin-1-yl)-3-pyridinyl]methyl]propan-1-amine
CID 83045774
6-(2-ethylpyrrolidin-1-yl)-5-methylpyridin-3-amine
CID 62476384

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[2-(bromomethyl)piperidin-1-yl]-3-methylpyridine?
The IUPAC name of 5-bromo-2-[2-(bromomethyl)piperidin-1-yl]-3-methylpyridine (CID 80676805) is 5-bromo-2-[2-(bromomethyl)piperidin-1-yl]-3-methylpyridine.
What is the SMILES notation for 5-bromo-2-[2-(bromomethyl)piperidin-1-yl]-3-methylpyridine?
The canonical SMILES for 5-bromo-2-[2-(bromomethyl)piperidin-1-yl]-3-methylpyridine is Cc1cc(Br)cnc1N1CCCCC1CBr.
What is the InChIKey of 5-bromo-2-[2-(bromomethyl)piperidin-1-yl]-3-methylpyridine?
The InChIKey is UEYAGVUDLWRLQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Br2N2/c1-9-6-10(14)8-15-12(9)16-5-3-2-4-11(16)7-13/h6,8,11H,2-5,7H2,1H3.
What are the key properties of 5-bromo-2-[2-(bromomethyl)piperidin-1-yl]-3-methylpyridine?
5-bromo-2-[2-(bromomethyl)piperidin-1-yl]-3-methylpyridine has a molecular weight of 348.08 g/mol, XLogP of 3.91, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[2-(bromomethyl)piperidin-1-yl]-3-methylpyridine is sourced from PubChem (CID 80676805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).