2-(6-bromo-2-methyl-3-pyridinyl)oxan-4-ol

C11H14BrNO2 — CID 166105651

IUPAC2-(6-bromo-2-methyl-3-pyridinyl)oxan-4-ol
SMILESCc1nc(Br)ccc1C1CC(O)CCO1
InChIInChI=1S/C11H14BrNO2/c1-7-9(2-3-11(12)13-7)10-6-8(14)4-5-15-10/h2-3,8,10,14H,4-6H2,1H3
InChIKeyZFYMVZYEZOEJIE-UHFFFAOYSA-N
MW272.14 g/mol
LogP2.36
Rot. Bonds1

About 2-(6-bromo-2-methyl-3-pyridinyl)oxan-4-ol

2-(6-bromo-2-methyl-3-pyridinyl)oxan-4-ol (PubChem CID 166105651) has the molecular formula C11H14BrNO2 and a molecular weight of 272.14 g/mol. Its IUPAC name is 2-(6-bromo-2-methyl-3-pyridinyl)oxan-4-ol.

Molecular Properties

Compound Name2-(6-bromo-2-methyl-3-pyridinyl)oxan-4-ol
PubChem CID166105651
Molecular FormulaC11H14BrNO2
Molecular Weight272.14 g/mol
Exact Mass271.02
IUPAC Name2-(6-bromo-2-methyl-3-pyridinyl)oxan-4-ol
SMILESCc1nc(Br)ccc1C1CC(O)CCO1
InChIInChI=1S/C11H14BrNO2/c1-7-9(2-3-11(12)13-7)10-6-8(14)4-5-15-10/h2-3,8,10,14H,4-6H2,1H3
InChIKeyZFYMVZYEZOEJIE-UHFFFAOYSA-N
XLogP2.36
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.14
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(6-bromo-2-methyl-3-pyridinyl)oxan-4-ol?
The IUPAC name of 2-(6-bromo-2-methyl-3-pyridinyl)oxan-4-ol (CID 166105651) is 2-(6-bromo-2-methyl-3-pyridinyl)oxan-4-ol.
What is the SMILES notation for 2-(6-bromo-2-methyl-3-pyridinyl)oxan-4-ol?
The canonical SMILES for 2-(6-bromo-2-methyl-3-pyridinyl)oxan-4-ol is Cc1nc(Br)ccc1C1CC(O)CCO1.
What is the InChIKey of 2-(6-bromo-2-methyl-3-pyridinyl)oxan-4-ol?
The InChIKey is ZFYMVZYEZOEJIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO2/c1-7-9(2-3-11(12)13-7)10-6-8(14)4-5-15-10/h2-3,8,10,14H,4-6H2,1H3.
What are the key properties of 2-(6-bromo-2-methyl-3-pyridinyl)oxan-4-ol?
2-(6-bromo-2-methyl-3-pyridinyl)oxan-4-ol has a molecular weight of 272.14 g/mol, XLogP of 2.36, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-bromo-2-methyl-3-pyridinyl)oxan-4-ol is sourced from PubChem (CID 166105651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).