6-[(3-amino-5-bromo-4-pyridinyl)amino]hexan-1-ol

C11H18BrN3O — CID 107843957

IUPAC6-[(3-amino-5-bromo-4-pyridinyl)amino]hexan-1-ol
SMILESNc1cncc(Br)c1NCCCCCCO
InChIInChI=1S/C11H18BrN3O/c12-9-7-14-8-10(13)11(9)15-5-3-1-2-4-6-16/h7-8,16H,1-6,13H2,(H,14,15)
InChIKeyDWTDUZJEQWVZPB-UHFFFAOYSA-N
MW288.19 g/mol
LogP2.39
Rot. Bonds7

About 6-[(3-amino-5-bromo-4-pyridinyl)amino]hexan-1-ol

6-[(3-amino-5-bromo-4-pyridinyl)amino]hexan-1-ol (PubChem CID 107843957) has the molecular formula C11H18BrN3O and a molecular weight of 288.19 g/mol. Its IUPAC name is 6-[(3-amino-5-bromo-4-pyridinyl)amino]hexan-1-ol.

Molecular Properties

Compound Name6-[(3-amino-5-bromo-4-pyridinyl)amino]hexan-1-ol
PubChem CID107843957
Molecular FormulaC11H18BrN3O
Molecular Weight288.19 g/mol
Exact Mass287.06
IUPAC Name6-[(3-amino-5-bromo-4-pyridinyl)amino]hexan-1-ol
SMILESNc1cncc(Br)c1NCCCCCCO
InChIInChI=1S/C11H18BrN3O/c12-9-7-14-8-10(13)11(9)15-5-3-1-2-4-6-16/h7-8,16H,1-6,13H2,(H,14,15)
InChIKeyDWTDUZJEQWVZPB-UHFFFAOYSA-N
XLogP2.39
TPSA71.17 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.19
LogP ≤ 52.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-4-N-[3-(dimethylamino)propyl]pyridine-3,4-diamine
CID 103517564
5-[(3-amino-5-bromo-4-pyridinyl)amino]-2-methylpentan-1-ol
CID 106154442
5-bromo-4-N-(3-butoxypropyl)pyridine-3,4-diamine
CID 103518486
5-bromo-4-N-(3-imidazol-1-ylpropyl)pyridine-3,4-diamine
CID 103517575
2-[1-[[(3-amino-5-bromo-4-pyridinyl)amino]methyl]cyclopropyl]ethanol
CID 103518565
1-[(3-amino-5-bromo-4-pyridinyl)amino]propan-2-ol
CID 103517707
3-[(3-amino-5-bromo-4-pyridinyl)amino]-2-hydroxypropanamide
CID 106166594
5-bromo-4-N-(2-ethylsulfinylethyl)pyridine-3,4-diamine
CID 103518506
5-[(5-bromo-3-pyridinyl)amino]pentan-1-ol
CID 107302585
5-bromo-4-N-(2,2-dimethylbutyl)pyridine-3,4-diamine
CID 103518598
5-bromo-4-N-(cyclopropylmethyl)pyridine-3,4-diamine
CID 103517534
5-bromo-4-N-[2-(1,3-thiazol-2-yl)ethyl]pyridine-3,4-diamine
CID 103518122

Frequently Asked Questions

What is the IUPAC name of 6-[(3-amino-5-bromo-4-pyridinyl)amino]hexan-1-ol?
The IUPAC name of 6-[(3-amino-5-bromo-4-pyridinyl)amino]hexan-1-ol (CID 107843957) is 6-[(3-amino-5-bromo-4-pyridinyl)amino]hexan-1-ol.
What is the SMILES notation for 6-[(3-amino-5-bromo-4-pyridinyl)amino]hexan-1-ol?
The canonical SMILES for 6-[(3-amino-5-bromo-4-pyridinyl)amino]hexan-1-ol is Nc1cncc(Br)c1NCCCCCCO.
What is the InChIKey of 6-[(3-amino-5-bromo-4-pyridinyl)amino]hexan-1-ol?
The InChIKey is DWTDUZJEQWVZPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18BrN3O/c12-9-7-14-8-10(13)11(9)15-5-3-1-2-4-6-16/h7-8,16H,1-6,13H2,(H,14,15).
What are the key properties of 6-[(3-amino-5-bromo-4-pyridinyl)amino]hexan-1-ol?
6-[(3-amino-5-bromo-4-pyridinyl)amino]hexan-1-ol has a molecular weight of 288.19 g/mol, XLogP of 2.39, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-amino-5-bromo-4-pyridinyl)amino]hexan-1-ol is sourced from PubChem (CID 107843957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).