2-bromo-6-(2-methoxypropan-2-yl)pyridine

C9H12BrNO — CID 90103602

IUPAC2-bromo-6-(2-methoxypropan-2-yl)pyridine
SMILESCOC(C)(C)c1cccc(Br)n1
InChIInChI=1S/C9H12BrNO/c1-9(2,12-3)7-5-4-6-8(10)11-7/h4-6H,1-3H3
InChIKeyUQRZDGPZGJPDJX-UHFFFAOYSA-N
MW230.10 g/mol
LogP2.73
Rot. Bonds2

About 2-bromo-6-(2-methoxypropan-2-yl)pyridine

2-bromo-6-(2-methoxypropan-2-yl)pyridine (PubChem CID 90103602) has the molecular formula C9H12BrNO and a molecular weight of 230.10 g/mol. Its IUPAC name is 2-bromo-6-(2-methoxypropan-2-yl)pyridine.

Molecular Properties

Compound Name2-bromo-6-(2-methoxypropan-2-yl)pyridine
PubChem CID90103602
Molecular FormulaC9H12BrNO
Molecular Weight230.10 g/mol
Exact Mass229.01
IUPAC Name2-bromo-6-(2-methoxypropan-2-yl)pyridine
SMILESCOC(C)(C)c1cccc(Br)n1
InChIInChI=1S/C9H12BrNO/c1-9(2,12-3)7-5-4-6-8(10)11-7/h4-6H,1-3H3
InChIKeyUQRZDGPZGJPDJX-UHFFFAOYSA-N
XLogP2.73
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.10
LogP ≤ 52.73
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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Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-(2-methoxypropan-2-yl)pyridine?
The IUPAC name of 2-bromo-6-(2-methoxypropan-2-yl)pyridine (CID 90103602) is 2-bromo-6-(2-methoxypropan-2-yl)pyridine.
What is the SMILES notation for 2-bromo-6-(2-methoxypropan-2-yl)pyridine?
The canonical SMILES for 2-bromo-6-(2-methoxypropan-2-yl)pyridine is COC(C)(C)c1cccc(Br)n1.
What is the InChIKey of 2-bromo-6-(2-methoxypropan-2-yl)pyridine?
The InChIKey is UQRZDGPZGJPDJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrNO/c1-9(2,12-3)7-5-4-6-8(10)11-7/h4-6H,1-3H3.
What are the key properties of 2-bromo-6-(2-methoxypropan-2-yl)pyridine?
2-bromo-6-(2-methoxypropan-2-yl)pyridine has a molecular weight of 230.10 g/mol, XLogP of 2.73, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-(2-methoxypropan-2-yl)pyridine is sourced from PubChem (CID 90103602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).