2-bromo-3-[(2-methylpropan-2-yl)oxy]pyridine

C9H12BrNO — CID 10585519

IUPAC2-bromo-3-[(2-methylpropan-2-yl)oxy]pyridine
SMILESCC(C)(C)Oc1cccnc1Br
InChIInChI=1S/C9H12BrNO/c1-9(2,3)12-7-5-4-6-11-8(7)10/h4-6H,1-3H3
InChIKeyNKAWCZNTFSKLGK-UHFFFAOYSA-N
MW230.10 g/mol
LogP3.02
Rot. Bonds1

About 2-bromo-3-[(2-methylpropan-2-yl)oxy]pyridine

2-bromo-3-[(2-methylpropan-2-yl)oxy]pyridine (PubChem CID 10585519) has the molecular formula C9H12BrNO and a molecular weight of 230.10 g/mol. Its IUPAC name is 2-bromo-3-[(2-methylpropan-2-yl)oxy]pyridine.

Molecular Properties

Compound Name2-bromo-3-[(2-methylpropan-2-yl)oxy]pyridine
PubChem CID10585519
Molecular FormulaC9H12BrNO
Molecular Weight230.10 g/mol
Exact Mass229.01
IUPAC Name2-bromo-3-[(2-methylpropan-2-yl)oxy]pyridine
SMILESCC(C)(C)Oc1cccnc1Br
InChIInChI=1S/C9H12BrNO/c1-9(2,3)12-7-5-4-6-11-8(7)10/h4-6H,1-3H3
InChIKeyNKAWCZNTFSKLGK-UHFFFAOYSA-N
XLogP3.02
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.10
LogP ≤ 53.02
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-3-[(2-methylpropan-2-yl)oxy]pyridine?
The IUPAC name of 2-bromo-3-[(2-methylpropan-2-yl)oxy]pyridine (CID 10585519) is 2-bromo-3-[(2-methylpropan-2-yl)oxy]pyridine.
What is the SMILES notation for 2-bromo-3-[(2-methylpropan-2-yl)oxy]pyridine?
The canonical SMILES for 2-bromo-3-[(2-methylpropan-2-yl)oxy]pyridine is CC(C)(C)Oc1cccnc1Br.
What is the InChIKey of 2-bromo-3-[(2-methylpropan-2-yl)oxy]pyridine?
The InChIKey is NKAWCZNTFSKLGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrNO/c1-9(2,3)12-7-5-4-6-11-8(7)10/h4-6H,1-3H3.
What are the key properties of 2-bromo-3-[(2-methylpropan-2-yl)oxy]pyridine?
2-bromo-3-[(2-methylpropan-2-yl)oxy]pyridine has a molecular weight of 230.10 g/mol, XLogP of 3.02, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3-[(2-methylpropan-2-yl)oxy]pyridine is sourced from PubChem (CID 10585519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).