2-bromo-6-(1,7,7-trimethyl-2-bicyclo[2.2.1]hept-2-enyl)pyridine

C15H18BrN — CID 91113610

IUPAC2-bromo-6-(1,7,7-trimethyl-2-bicyclo[2.2.1]hept-2-enyl)pyridine
SMILESCC12CCC(C=C1c1cccc(Br)n1)C2(C)C
InChIInChI=1S/C15H18BrN/c1-14(2)10-7-8-15(14,3)11(9-10)12-5-4-6-13(16)17-12/h4-6,9-10H,7-8H2,1-3H3
InChIKeyRILUNZOOKBZSQU-UHFFFAOYSA-N
MW292.22 g/mol
LogP4.68
Rot. Bonds1

About 2-bromo-6-(1,7,7-trimethyl-2-bicyclo[2.2.1]hept-2-enyl)pyridine

2-bromo-6-(1,7,7-trimethyl-2-bicyclo[2.2.1]hept-2-enyl)pyridine (PubChem CID 91113610) has the molecular formula C15H18BrN and a molecular weight of 292.22 g/mol. Its IUPAC name is 2-bromo-6-(1,7,7-trimethyl-2-bicyclo[2.2.1]hept-2-enyl)pyridine.

Molecular Properties

Compound Name2-bromo-6-(1,7,7-trimethyl-2-bicyclo[2.2.1]hept-2-enyl)pyridine
PubChem CID91113610
Molecular FormulaC15H18BrN
Molecular Weight292.22 g/mol
Exact Mass291.06
IUPAC Name2-bromo-6-(1,7,7-trimethyl-2-bicyclo[2.2.1]hept-2-enyl)pyridine
SMILESCC12CCC(C=C1c1cccc(Br)n1)C2(C)C
InChIInChI=1S/C15H18BrN/c1-14(2)10-7-8-15(14,3)11(9-10)12-5-4-6-13(16)17-12/h4-6,9-10H,7-8H2,1-3H3
InChIKeyRILUNZOOKBZSQU-UHFFFAOYSA-N
XLogP4.68
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.22
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-(1,7,7-trimethyl-2-bicyclo[2.2.1]hept-2-enyl)pyridine?
The IUPAC name of 2-bromo-6-(1,7,7-trimethyl-2-bicyclo[2.2.1]hept-2-enyl)pyridine (CID 91113610) is 2-bromo-6-(1,7,7-trimethyl-2-bicyclo[2.2.1]hept-2-enyl)pyridine.
What is the SMILES notation for 2-bromo-6-(1,7,7-trimethyl-2-bicyclo[2.2.1]hept-2-enyl)pyridine?
The canonical SMILES for 2-bromo-6-(1,7,7-trimethyl-2-bicyclo[2.2.1]hept-2-enyl)pyridine is CC12CCC(C=C1c1cccc(Br)n1)C2(C)C.
What is the InChIKey of 2-bromo-6-(1,7,7-trimethyl-2-bicyclo[2.2.1]hept-2-enyl)pyridine?
The InChIKey is RILUNZOOKBZSQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN/c1-14(2)10-7-8-15(14,3)11(9-10)12-5-4-6-13(16)17-12/h4-6,9-10H,7-8H2,1-3H3.
What are the key properties of 2-bromo-6-(1,7,7-trimethyl-2-bicyclo[2.2.1]hept-2-enyl)pyridine?
2-bromo-6-(1,7,7-trimethyl-2-bicyclo[2.2.1]hept-2-enyl)pyridine has a molecular weight of 292.22 g/mol, XLogP of 4.68, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-(1,7,7-trimethyl-2-bicyclo[2.2.1]hept-2-enyl)pyridine is sourced from PubChem (CID 91113610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).