4-(5-bromo-2-pyridinyl)oxan-4-ol

C10H12BrNO2 — CID 45104863

IUPAC4-(5-bromo-2-pyridinyl)oxan-4-ol
SMILESOC1(c2ccc(Br)cn2)CCOCC1
InChIInChI=1S/C10H12BrNO2/c11-8-1-2-9(12-7-8)10(13)3-5-14-6-4-10/h1-2,7,13H,3-6H2
InChIKeyHGUCUWCMPZUKER-UHFFFAOYSA-N
MW258.11 g/mol
LogP1.84
Rot. Bonds1

About 4-(5-bromo-2-pyridinyl)oxan-4-ol

4-(5-bromo-2-pyridinyl)oxan-4-ol (PubChem CID 45104863) has the molecular formula C10H12BrNO2 and a molecular weight of 258.11 g/mol. Its IUPAC name is 4-(5-bromo-2-pyridinyl)oxan-4-ol.

Molecular Properties

Compound Name4-(5-bromo-2-pyridinyl)oxan-4-ol
PubChem CID45104863
Molecular FormulaC10H12BrNO2
Molecular Weight258.11 g/mol
Exact Mass257.01
IUPAC Name4-(5-bromo-2-pyridinyl)oxan-4-ol
SMILESOC1(c2ccc(Br)cn2)CCOCC1
InChIInChI=1S/C10H12BrNO2/c11-8-1-2-9(12-7-8)10(13)3-5-14-6-4-10/h1-2,7,13H,3-6H2
InChIKeyHGUCUWCMPZUKER-UHFFFAOYSA-N
XLogP1.84
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.11
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(5-bromo-2-pyridinyl)oxan-4-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(5-bromo-2-pyridinyl)oxan-4-ol?
The IUPAC name of 4-(5-bromo-2-pyridinyl)oxan-4-ol (CID 45104863) is 4-(5-bromo-2-pyridinyl)oxan-4-ol.
What is the SMILES notation for 4-(5-bromo-2-pyridinyl)oxan-4-ol?
The canonical SMILES for 4-(5-bromo-2-pyridinyl)oxan-4-ol is OC1(c2ccc(Br)cn2)CCOCC1.
What is the InChIKey of 4-(5-bromo-2-pyridinyl)oxan-4-ol?
The InChIKey is HGUCUWCMPZUKER-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNO2/c11-8-1-2-9(12-7-8)10(13)3-5-14-6-4-10/h1-2,7,13H,3-6H2.
What are the key properties of 4-(5-bromo-2-pyridinyl)oxan-4-ol?
4-(5-bromo-2-pyridinyl)oxan-4-ol has a molecular weight of 258.11 g/mol, XLogP of 1.84, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-bromo-2-pyridinyl)oxan-4-ol is sourced from PubChem (CID 45104863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).