1-(6-bromo-2-pyridinyl)pentan-1-ol

C10H14BrNO — CID 58629907

IUPAC1-(6-bromo-2-pyridinyl)pentan-1-ol
SMILESCCCCC(O)c1cccc(Br)n1
InChIInChI=1S/C10H14BrNO/c1-2-3-6-9(13)8-5-4-7-10(11)12-8/h4-5,7,9,13H,2-3,6H2,1H3
InChIKeyLJPUXOINGMLDOC-UHFFFAOYSA-N
MW244.13 g/mol
LogP3.07
Rot. Bonds4

About 1-(6-bromo-2-pyridinyl)pentan-1-ol

1-(6-bromo-2-pyridinyl)pentan-1-ol (PubChem CID 58629907) has the molecular formula C10H14BrNO and a molecular weight of 244.13 g/mol. Its IUPAC name is 1-(6-bromo-2-pyridinyl)pentan-1-ol.

Molecular Properties

Compound Name1-(6-bromo-2-pyridinyl)pentan-1-ol
PubChem CID58629907
Molecular FormulaC10H14BrNO
Molecular Weight244.13 g/mol
Exact Mass243.03
IUPAC Name1-(6-bromo-2-pyridinyl)pentan-1-ol
SMILESCCCCC(O)c1cccc(Br)n1
InChIInChI=1S/C10H14BrNO/c1-2-3-6-9(13)8-5-4-7-10(11)12-8/h4-5,7,9,13H,2-3,6H2,1H3
InChIKeyLJPUXOINGMLDOC-UHFFFAOYSA-N
XLogP3.07
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.13
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 1-(6-bromo-2-pyridinyl)pentan-1-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 1-(6-bromo-2-pyridinyl)pentan-1-ol?
The IUPAC name of 1-(6-bromo-2-pyridinyl)pentan-1-ol (CID 58629907) is 1-(6-bromo-2-pyridinyl)pentan-1-ol.
What is the SMILES notation for 1-(6-bromo-2-pyridinyl)pentan-1-ol?
The canonical SMILES for 1-(6-bromo-2-pyridinyl)pentan-1-ol is CCCCC(O)c1cccc(Br)n1.
What is the InChIKey of 1-(6-bromo-2-pyridinyl)pentan-1-ol?
The InChIKey is LJPUXOINGMLDOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNO/c1-2-3-6-9(13)8-5-4-7-10(11)12-8/h4-5,7,9,13H,2-3,6H2,1H3.
What are the key properties of 1-(6-bromo-2-pyridinyl)pentan-1-ol?
1-(6-bromo-2-pyridinyl)pentan-1-ol has a molecular weight of 244.13 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-bromo-2-pyridinyl)pentan-1-ol is sourced from PubChem (CID 58629907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).