2-bromo-6-(3-methylpentan-3-yl)pyridine

C11H16BrN — CID 126672300

IUPAC2-bromo-6-(3-methylpentan-3-yl)pyridine
SMILESCCC(C)(CC)c1cccc(Br)n1
InChIInChI=1S/C11H16BrN/c1-4-11(3,5-2)9-7-6-8-10(12)13-9/h6-8H,4-5H2,1-3H3
InChIKeyHXXRNJYIUYXLGS-UHFFFAOYSA-N
MW242.16 g/mol
LogP3.92
Rot. Bonds3

About 2-bromo-6-(3-methylpentan-3-yl)pyridine

2-bromo-6-(3-methylpentan-3-yl)pyridine (PubChem CID 126672300) has the molecular formula C11H16BrN and a molecular weight of 242.16 g/mol. Its IUPAC name is 2-bromo-6-(3-methylpentan-3-yl)pyridine.

Molecular Properties

Compound Name2-bromo-6-(3-methylpentan-3-yl)pyridine
PubChem CID126672300
Molecular FormulaC11H16BrN
Molecular Weight242.16 g/mol
Exact Mass241.05
IUPAC Name2-bromo-6-(3-methylpentan-3-yl)pyridine
SMILESCCC(C)(CC)c1cccc(Br)n1
InChIInChI=1S/C11H16BrN/c1-4-11(3,5-2)9-7-6-8-10(12)13-9/h6-8H,4-5H2,1-3H3
InChIKeyHXXRNJYIUYXLGS-UHFFFAOYSA-N
XLogP3.92
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.16
LogP ≤ 53.92
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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Related Compounds

2-bromo-6-[tris(6-bromo-2-pyridinyl)methyl]pyridine
CID 59342907
6-bromo-N-(3-methylpentan-3-yl)pyridin-2-amine
CID 106330912
6-bromo-N-(2,2-dimethylbutyl)pyridin-2-amine
CID 103463547
6-bromo-N,N-dibutylpyridin-2-amine
CID 63961710
3-[(6-bromo-2-pyridinyl)amino]-2,2-dimethylpropan-1-ol
CID 115361912
1-(6-bromo-2-pyridinyl)pentan-1-ol
CID 58629907
6-bromo-N-[(1-methylcyclopropyl)methyl]pyridin-2-amine
CID 107143626
6-bromo-N-(3-methoxypropyl)pyridin-2-amine
CID 46739391
6-bromo-N-(2-ethoxyethyl)pyridin-2-amine
CID 63962795
N-(6-bromo-2-pyridinyl)propanamide
CID 43520454
2,7-bis(3-methylpentan-3-yl)imidazo[1,2-a]pyrimidine
CID 129074127
6-bromo-N-(5-methylhexyl)pyridin-2-amine
CID 115326764

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-(3-methylpentan-3-yl)pyridine?
The IUPAC name of 2-bromo-6-(3-methylpentan-3-yl)pyridine (CID 126672300) is 2-bromo-6-(3-methylpentan-3-yl)pyridine.
What is the SMILES notation for 2-bromo-6-(3-methylpentan-3-yl)pyridine?
The canonical SMILES for 2-bromo-6-(3-methylpentan-3-yl)pyridine is CCC(C)(CC)c1cccc(Br)n1.
What is the InChIKey of 2-bromo-6-(3-methylpentan-3-yl)pyridine?
The InChIKey is HXXRNJYIUYXLGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrN/c1-4-11(3,5-2)9-7-6-8-10(12)13-9/h6-8H,4-5H2,1-3H3.
What are the key properties of 2-bromo-6-(3-methylpentan-3-yl)pyridine?
2-bromo-6-(3-methylpentan-3-yl)pyridine has a molecular weight of 242.16 g/mol, XLogP of 3.92, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-(3-methylpentan-3-yl)pyridine is sourced from PubChem (CID 126672300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).