6-[(6-bromo-2-pyridinyl)amino]hexan-1-ol

C11H17BrN2O — CID 107854113

IUPAC6-[(6-bromo-2-pyridinyl)amino]hexan-1-ol
SMILESOCCCCCCNc1cccc(Br)n1
InChIInChI=1S/C11H17BrN2O/c12-10-6-5-7-11(14-10)13-8-3-1-2-4-9-15/h5-7,15H,1-4,8-9H2,(H,13,14)
InChIKeyQXKVDEYFJOQOSQ-UHFFFAOYSA-N
MW273.17 g/mol
LogP2.81
Rot. Bonds7

About 6-[(6-bromo-2-pyridinyl)amino]hexan-1-ol

6-[(6-bromo-2-pyridinyl)amino]hexan-1-ol (PubChem CID 107854113) has the molecular formula C11H17BrN2O and a molecular weight of 273.17 g/mol. Its IUPAC name is 6-[(6-bromo-2-pyridinyl)amino]hexan-1-ol.

Molecular Properties

Compound Name6-[(6-bromo-2-pyridinyl)amino]hexan-1-ol
PubChem CID107854113
Molecular FormulaC11H17BrN2O
Molecular Weight273.17 g/mol
Exact Mass272.05
IUPAC Name6-[(6-bromo-2-pyridinyl)amino]hexan-1-ol
SMILESOCCCCCCNc1cccc(Br)n1
InChIInChI=1S/C11H17BrN2O/c12-10-6-5-7-11(14-10)13-8-3-1-2-4-9-15/h5-7,15H,1-4,8-9H2,(H,13,14)
InChIKeyQXKVDEYFJOQOSQ-UHFFFAOYSA-N
XLogP2.81
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.17
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6-[(6-bromo-2-pyridinyl)amino]hexan-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

Related Compounds

6-[(6-methoxy-2-pyridinyl)amino]hexan-1-ol
CID 107848852
4-[(6-hydrazinyl-2-pyridinyl)amino]butan-1-ol
CID 106847100
4-[(6-amino-2-pyridinyl)amino]butan-1-ol
CID 106846869
6-bromo-N-(4-methoxybutyl)pyridin-2-amine
CID 63963664
6-bromo-N-(5-methylhexyl)pyridin-2-amine
CID 115326764
6-bromo-N-(3-methoxypropyl)pyridin-2-amine
CID 46739391
3-[(6-bromo-2-pyridinyl)amino]propane-1-sulfonamide
CID 63961528
5-[(6-ethoxy-2-pyridinyl)amino]pentan-1-ol
CID 107318017
4-[(6-bromo-2-pyridinyl)methylamino]butan-1-ol
CID 106840570
3-[(6-bromo-2-pyridinyl)amino]-2,2-dimethylpropan-1-ol
CID 115361912
6-[(6-bromoquinolin-2-yl)amino]hexan-1-ol
CID 133434464
5-[2-(5-hydroxypentylamino)anilino]pentan-1-ol
CID 165350008

Frequently Asked Questions

What is the IUPAC name of 6-[(6-bromo-2-pyridinyl)amino]hexan-1-ol?
The IUPAC name of 6-[(6-bromo-2-pyridinyl)amino]hexan-1-ol (CID 107854113) is 6-[(6-bromo-2-pyridinyl)amino]hexan-1-ol.
What is the SMILES notation for 6-[(6-bromo-2-pyridinyl)amino]hexan-1-ol?
The canonical SMILES for 6-[(6-bromo-2-pyridinyl)amino]hexan-1-ol is OCCCCCCNc1cccc(Br)n1.
What is the InChIKey of 6-[(6-bromo-2-pyridinyl)amino]hexan-1-ol?
The InChIKey is QXKVDEYFJOQOSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN2O/c12-10-6-5-7-11(14-10)13-8-3-1-2-4-9-15/h5-7,15H,1-4,8-9H2,(H,13,14).
What are the key properties of 6-[(6-bromo-2-pyridinyl)amino]hexan-1-ol?
6-[(6-bromo-2-pyridinyl)amino]hexan-1-ol has a molecular weight of 273.17 g/mol, XLogP of 2.81, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(6-bromo-2-pyridinyl)amino]hexan-1-ol is sourced from PubChem (CID 107854113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).