2-bromo-5-(oxan-4-yloxy)pyridine;6-bromopyridin-3-ol

C15H16Br2N2O3 — CID 170549224

IUPAC2-bromo-5-(oxan-4-yloxy)pyridine;6-bromopyridin-3-ol
SMILESBrc1ccc(OC2CCOCC2)cn1.Oc1ccc(Br)nc1
InChIInChI=1S/C10H12BrNO2.C5H4BrNO/c11-10-2-1-9(7-12-10)14-8-3-5-13-6-4-8;6-5-2-1-4(8)3-7-5/h1-2,7-8H,3-6H2;1-3,8H
InChIKeyJAZCFEPIVZXJHB-UHFFFAOYSA-N
MW432.11 g/mol
LogP3.95
Rot. Bonds2

About 2-bromo-5-(oxan-4-yloxy)pyridine;6-bromopyridin-3-ol

2-bromo-5-(oxan-4-yloxy)pyridine;6-bromopyridin-3-ol (PubChem CID 170549224) has the molecular formula C15H16Br2N2O3 and a molecular weight of 432.11 g/mol. Its IUPAC name is 2-bromo-5-(oxan-4-yloxy)pyridine;6-bromopyridin-3-ol.

Molecular Properties

Compound Name2-bromo-5-(oxan-4-yloxy)pyridine;6-bromopyridin-3-ol
PubChem CID170549224
Molecular FormulaC15H16Br2N2O3
Molecular Weight432.11 g/mol
Exact Mass429.95
IUPAC Name2-bromo-5-(oxan-4-yloxy)pyridine;6-bromopyridin-3-ol
SMILESBrc1ccc(OC2CCOCC2)cn1.Oc1ccc(Br)nc1
InChIInChI=1S/C10H12BrNO2.C5H4BrNO/c11-10-2-1-9(7-12-10)14-8-3-5-13-6-4-8;6-5-2-1-4(8)3-7-5/h1-2,7-8H,3-6H2;1-3,8H
InChIKeyJAZCFEPIVZXJHB-UHFFFAOYSA-N
XLogP3.95
TPSA64.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.11
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-5-(oxan-4-yloxy)pyridine;6-bromopyridin-3-ol?
The IUPAC name of 2-bromo-5-(oxan-4-yloxy)pyridine;6-bromopyridin-3-ol (CID 170549224) is 2-bromo-5-(oxan-4-yloxy)pyridine;6-bromopyridin-3-ol.
What is the SMILES notation for 2-bromo-5-(oxan-4-yloxy)pyridine;6-bromopyridin-3-ol?
The canonical SMILES for 2-bromo-5-(oxan-4-yloxy)pyridine;6-bromopyridin-3-ol is Brc1ccc(OC2CCOCC2)cn1.Oc1ccc(Br)nc1.
What is the InChIKey of 2-bromo-5-(oxan-4-yloxy)pyridine;6-bromopyridin-3-ol?
The InChIKey is JAZCFEPIVZXJHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNO2.C5H4BrNO/c11-10-2-1-9(7-12-10)14-8-3-5-13-6-4-8;6-5-2-1-4(8)3-7-5/h1-2,7-8H,3-6H2;1-3,8H.
What are the key properties of 2-bromo-5-(oxan-4-yloxy)pyridine;6-bromopyridin-3-ol?
2-bromo-5-(oxan-4-yloxy)pyridine;6-bromopyridin-3-ol has a molecular weight of 432.11 g/mol, XLogP of 3.95, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-(oxan-4-yloxy)pyridine;6-bromopyridin-3-ol is sourced from PubChem (CID 170549224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).