2-(2-bromoethyl)-6-(6-methyl-2-pyridinyl)pyridine

C13H13BrN2 — CID 130153092

IUPAC2-(2-bromoethyl)-6-(6-methyl-2-pyridinyl)pyridine
SMILESCc1cccc(-c2cccc(CCBr)n2)n1
InChIInChI=1S/C13H13BrN2/c1-10-4-2-6-12(15-10)13-7-3-5-11(16-13)8-9-14/h2-7H,8-9H2,1H3
InChIKeyWMWSCBCAQREJRV-UHFFFAOYSA-N
MW277.17 g/mol
LogP3.39
Rot. Bonds3

About 2-(2-bromoethyl)-6-(6-methyl-2-pyridinyl)pyridine

2-(2-bromoethyl)-6-(6-methyl-2-pyridinyl)pyridine (PubChem CID 130153092) has the molecular formula C13H13BrN2 and a molecular weight of 277.17 g/mol. Its IUPAC name is 2-(2-bromoethyl)-6-(6-methyl-2-pyridinyl)pyridine.

Molecular Properties

Compound Name2-(2-bromoethyl)-6-(6-methyl-2-pyridinyl)pyridine
PubChem CID130153092
Molecular FormulaC13H13BrN2
Molecular Weight277.17 g/mol
Exact Mass276.03
IUPAC Name2-(2-bromoethyl)-6-(6-methyl-2-pyridinyl)pyridine
SMILESCc1cccc(-c2cccc(CCBr)n2)n1
InChIInChI=1S/C13H13BrN2/c1-10-4-2-6-12(15-10)13-7-3-5-11(16-13)8-9-14/h2-7H,8-9H2,1H3
InChIKeyWMWSCBCAQREJRV-UHFFFAOYSA-N
XLogP3.39
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.17
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-bromoethyl)-6-(6-methyl-2-pyridinyl)pyridine?
The IUPAC name of 2-(2-bromoethyl)-6-(6-methyl-2-pyridinyl)pyridine (CID 130153092) is 2-(2-bromoethyl)-6-(6-methyl-2-pyridinyl)pyridine.
What is the SMILES notation for 2-(2-bromoethyl)-6-(6-methyl-2-pyridinyl)pyridine?
The canonical SMILES for 2-(2-bromoethyl)-6-(6-methyl-2-pyridinyl)pyridine is Cc1cccc(-c2cccc(CCBr)n2)n1.
What is the InChIKey of 2-(2-bromoethyl)-6-(6-methyl-2-pyridinyl)pyridine?
The InChIKey is WMWSCBCAQREJRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN2/c1-10-4-2-6-12(15-10)13-7-3-5-11(16-13)8-9-14/h2-7H,8-9H2,1H3.
What are the key properties of 2-(2-bromoethyl)-6-(6-methyl-2-pyridinyl)pyridine?
2-(2-bromoethyl)-6-(6-methyl-2-pyridinyl)pyridine has a molecular weight of 277.17 g/mol, XLogP of 3.39, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromoethyl)-6-(6-methyl-2-pyridinyl)pyridine is sourced from PubChem (CID 130153092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).