2,6-bis(bromomethyl)-4-(2,2-dimethylpropyl)pyridine

C12H17Br2N — CID 177300478

IUPAC2,6-bis(bromomethyl)-4-(2,2-dimethylpropyl)pyridine
SMILESCC(C)(C)Cc1cc(CBr)nc(CBr)c1
InChIInChI=1S/C12H17Br2N/c1-12(2,3)6-9-4-10(7-13)15-11(5-9)8-14/h4-5H,6-8H2,1-3H3
InChIKeyHXWWWGQOOUYIPQ-UHFFFAOYSA-N
MW335.08 g/mol
LogP4.46
Rot. Bonds3

About 2,6-bis(bromomethyl)-4-(2,2-dimethylpropyl)pyridine

2,6-bis(bromomethyl)-4-(2,2-dimethylpropyl)pyridine (PubChem CID 177300478) has the molecular formula C12H17Br2N and a molecular weight of 335.08 g/mol. Its IUPAC name is 2,6-bis(bromomethyl)-4-(2,2-dimethylpropyl)pyridine.

Molecular Properties

Compound Name2,6-bis(bromomethyl)-4-(2,2-dimethylpropyl)pyridine
PubChem CID177300478
Molecular FormulaC12H17Br2N
Molecular Weight335.08 g/mol
Exact Mass332.97
IUPAC Name2,6-bis(bromomethyl)-4-(2,2-dimethylpropyl)pyridine
SMILESCC(C)(C)Cc1cc(CBr)nc(CBr)c1
InChIInChI=1S/C12H17Br2N/c1-12(2,3)6-9-4-10(7-13)15-11(5-9)8-14/h4-5H,6-8H2,1-3H3
InChIKeyHXWWWGQOOUYIPQ-UHFFFAOYSA-N
XLogP4.46
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.08
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 2,6-bis(bromomethyl)-4-(2,2-dimethylpropyl)pyridine?
The IUPAC name of 2,6-bis(bromomethyl)-4-(2,2-dimethylpropyl)pyridine (CID 177300478) is 2,6-bis(bromomethyl)-4-(2,2-dimethylpropyl)pyridine.
What is the SMILES notation for 2,6-bis(bromomethyl)-4-(2,2-dimethylpropyl)pyridine?
The canonical SMILES for 2,6-bis(bromomethyl)-4-(2,2-dimethylpropyl)pyridine is CC(C)(C)Cc1cc(CBr)nc(CBr)c1.
What is the InChIKey of 2,6-bis(bromomethyl)-4-(2,2-dimethylpropyl)pyridine?
The InChIKey is HXWWWGQOOUYIPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17Br2N/c1-12(2,3)6-9-4-10(7-13)15-11(5-9)8-14/h4-5H,6-8H2,1-3H3.
What are the key properties of 2,6-bis(bromomethyl)-4-(2,2-dimethylpropyl)pyridine?
2,6-bis(bromomethyl)-4-(2,2-dimethylpropyl)pyridine has a molecular weight of 335.08 g/mol, XLogP of 4.46, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis(bromomethyl)-4-(2,2-dimethylpropyl)pyridine is sourced from PubChem (CID 177300478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).