2-bromo-4-(2,2-dimethylpropyl)pyridine

C10H14BrN — CID 89410737

IUPAC2-bromo-4-(2,2-dimethylpropyl)pyridine
SMILESCC(C)(C)Cc1ccnc(Br)c1
InChIInChI=1S/C10H14BrN/c1-10(2,3)7-8-4-5-12-9(11)6-8/h4-6H,7H2,1-3H3
InChIKeyIPMHEOMOLZIGAH-UHFFFAOYSA-N
MW228.13 g/mol
LogP3.43
Rot. Bonds1

About 2-bromo-4-(2,2-dimethylpropyl)pyridine

2-bromo-4-(2,2-dimethylpropyl)pyridine (PubChem CID 89410737) has the molecular formula C10H14BrN and a molecular weight of 228.13 g/mol. Its IUPAC name is 2-bromo-4-(2,2-dimethylpropyl)pyridine.

Molecular Properties

Compound Name2-bromo-4-(2,2-dimethylpropyl)pyridine
PubChem CID89410737
Molecular FormulaC10H14BrN
Molecular Weight228.13 g/mol
Exact Mass227.03
IUPAC Name2-bromo-4-(2,2-dimethylpropyl)pyridine
SMILESCC(C)(C)Cc1ccnc(Br)c1
InChIInChI=1S/C10H14BrN/c1-10(2,3)7-8-4-5-12-9(11)6-8/h4-6H,7H2,1-3H3
InChIKeyIPMHEOMOLZIGAH-UHFFFAOYSA-N
XLogP3.43
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.13
LogP ≤ 53.43
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-4-(2,2-dimethylpropyl)pyridine?
The IUPAC name of 2-bromo-4-(2,2-dimethylpropyl)pyridine (CID 89410737) is 2-bromo-4-(2,2-dimethylpropyl)pyridine.
What is the SMILES notation for 2-bromo-4-(2,2-dimethylpropyl)pyridine?
The canonical SMILES for 2-bromo-4-(2,2-dimethylpropyl)pyridine is CC(C)(C)Cc1ccnc(Br)c1.
What is the InChIKey of 2-bromo-4-(2,2-dimethylpropyl)pyridine?
The InChIKey is IPMHEOMOLZIGAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrN/c1-10(2,3)7-8-4-5-12-9(11)6-8/h4-6H,7H2,1-3H3.
What are the key properties of 2-bromo-4-(2,2-dimethylpropyl)pyridine?
2-bromo-4-(2,2-dimethylpropyl)pyridine has a molecular weight of 228.13 g/mol, XLogP of 3.43, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-(2,2-dimethylpropyl)pyridine is sourced from PubChem (CID 89410737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).