2-bromo-5-(3,3-dimethylbutoxy)pyridine

C11H16BrNO — CID 102670859

IUPAC2-bromo-5-(3,3-dimethylbutoxy)pyridine
SMILESCC(C)(C)CCOc1ccc(Br)nc1
InChIInChI=1S/C11H16BrNO/c1-11(2,3)6-7-14-9-4-5-10(12)13-8-9/h4-5,8H,6-7H2,1-3H3
InChIKeySOUYNIYSWWTVAO-UHFFFAOYSA-N
MW258.16 g/mol
LogP3.66
Rot. Bonds3

About 2-bromo-5-(3,3-dimethylbutoxy)pyridine

2-bromo-5-(3,3-dimethylbutoxy)pyridine (PubChem CID 102670859) has the molecular formula C11H16BrNO and a molecular weight of 258.16 g/mol. Its IUPAC name is 2-bromo-5-(3,3-dimethylbutoxy)pyridine.

Molecular Properties

Compound Name2-bromo-5-(3,3-dimethylbutoxy)pyridine
PubChem CID102670859
Molecular FormulaC11H16BrNO
Molecular Weight258.16 g/mol
Exact Mass257.04
IUPAC Name2-bromo-5-(3,3-dimethylbutoxy)pyridine
SMILESCC(C)(C)CCOc1ccc(Br)nc1
InChIInChI=1S/C11H16BrNO/c1-11(2,3)6-7-14-9-4-5-10(12)13-8-9/h4-5,8H,6-7H2,1-3H3
InChIKeySOUYNIYSWWTVAO-UHFFFAOYSA-N
XLogP3.66
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.16
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-5-[4-[4-[(6-bromo-3-pyridinyl)oxy]-2-methylbutan-2-yl]oxy-2-methylbutan-2-yl]oxypyridine
CID 91088394
2-bromo-5-butoxypyridine
CID 87199523
2-[(6-bromo-3-pyridinyl)oxy]-N-methylethanamine
CID 162753112
2-[(6-bromo-3-pyridinyl)oxy]ethanol
CID 86643980
2-bromo-5-(3-chloropropoxy)pyridine
CID 137352816
2-bromo-5-(3-ethoxypropoxy)pyridine
CID 103816245
2-bromo-5-(2-propoxyethoxy)pyridine
CID 107396761
2-bromo-5-pent-3-ynoxypyridine
CID 104743964
2-bromo-5-but-3-ynoxypyridine
CID 103864136
5-[(6-bromo-3-pyridinyl)oxy]pentan-2-one
CID 161220213
1-(bromomethyl)-4-(3,3-dimethylbutoxy)benzene
CID 63534329
N-[[5-(3,3-dimethylbutoxy)-2-pyridinyl]methyl]propan-2-amine
CID 79784006

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-(3,3-dimethylbutoxy)pyridine?
The IUPAC name of 2-bromo-5-(3,3-dimethylbutoxy)pyridine (CID 102670859) is 2-bromo-5-(3,3-dimethylbutoxy)pyridine.
What is the SMILES notation for 2-bromo-5-(3,3-dimethylbutoxy)pyridine?
The canonical SMILES for 2-bromo-5-(3,3-dimethylbutoxy)pyridine is CC(C)(C)CCOc1ccc(Br)nc1.
What is the InChIKey of 2-bromo-5-(3,3-dimethylbutoxy)pyridine?
The InChIKey is SOUYNIYSWWTVAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNO/c1-11(2,3)6-7-14-9-4-5-10(12)13-8-9/h4-5,8H,6-7H2,1-3H3.
What are the key properties of 2-bromo-5-(3,3-dimethylbutoxy)pyridine?
2-bromo-5-(3,3-dimethylbutoxy)pyridine has a molecular weight of 258.16 g/mol, XLogP of 3.66, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-(3,3-dimethylbutoxy)pyridine is sourced from PubChem (CID 102670859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).