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

C11H17N3O3 — CID 103918222

IUPAC6-[(3-nitro-4-pyridinyl)amino]hexan-1-ol
SMILESO=[N+]([O-])c1cnccc1NCCCCCCO
InChIInChI=1S/C11H17N3O3/c15-8-4-2-1-3-6-13-10-5-7-12-9-11(10)14(16)17/h5,7,9,15H,1-4,6,8H2,(H,12,13)
InChIKeyYWJIIMZTEKKTRE-UHFFFAOYSA-N
MW239.27 g/mol
LogP1.95
Rot. Bonds8

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

6-[(3-nitro-4-pyridinyl)amino]hexan-1-ol (PubChem CID 103918222) has the molecular formula C11H17N3O3 and a molecular weight of 239.27 g/mol. Its IUPAC name is 6-[(3-nitro-4-pyridinyl)amino]hexan-1-ol.

Molecular Properties

Compound Name6-[(3-nitro-4-pyridinyl)amino]hexan-1-ol
PubChem CID103918222
Molecular FormulaC11H17N3O3
Molecular Weight239.27 g/mol
Exact Mass239.13
IUPAC Name6-[(3-nitro-4-pyridinyl)amino]hexan-1-ol
SMILESO=[N+]([O-])c1cnccc1NCCCCCCO
InChIInChI=1S/C11H17N3O3/c15-8-4-2-1-3-6-13-10-5-7-12-9-11(10)14(16)17/h5,7,9,15H,1-4,6,8H2,(H,12,13)
InChIKeyYWJIIMZTEKKTRE-UHFFFAOYSA-N
XLogP1.95
TPSA88.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-[(3-nitro-4-pyridinyl)amino]butan-1-ol
CID 19864513
5-[(5-nitroisoquinolin-8-yl)amino]pentan-1-ol
CID 107318190
6-[(5-nitroisoquinolin-8-yl)amino]hexan-1-ol
CID 107848805
N-(5-methylhexyl)-3-nitropyridin-4-amine
CID 79003361
N-(8-hexoxyoctyl)-3-nitropyridin-4-amine
CID 90319518
N-ethyl-N-[3-[(3-nitro-4-pyridinyl)amino]propyl]methanesulfonamide
CID 51892002
N-(3-imidazol-1-ylpropyl)-3-nitropyridin-4-amine
CID 28994217
N-cyclopropyl-4-[(3-nitro-4-pyridinyl)amino]butanamide
CID 78920193
N-[3-(4-methylpiperazin-1-yl)propyl]-3-nitropyridin-4-amine
CID 134098351
N-cyclopropyl-N'-(3-nitro-4-pyridinyl)ethane-1,2-diamine
CID 62663408
4-[(8-nitroquinolin-4-yl)amino]butan-1-ol
CID 106842695
N-(2-butoxyethyl)-3-nitropyridin-4-amine
CID 61175883

Frequently Asked Questions

What is the IUPAC name of 6-[(3-nitro-4-pyridinyl)amino]hexan-1-ol?
The IUPAC name of 6-[(3-nitro-4-pyridinyl)amino]hexan-1-ol (CID 103918222) is 6-[(3-nitro-4-pyridinyl)amino]hexan-1-ol.
What is the SMILES notation for 6-[(3-nitro-4-pyridinyl)amino]hexan-1-ol?
The canonical SMILES for 6-[(3-nitro-4-pyridinyl)amino]hexan-1-ol is O=[N+]([O-])c1cnccc1NCCCCCCO.
What is the InChIKey of 6-[(3-nitro-4-pyridinyl)amino]hexan-1-ol?
The InChIKey is YWJIIMZTEKKTRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3/c15-8-4-2-1-3-6-13-10-5-7-12-9-11(10)14(16)17/h5,7,9,15H,1-4,6,8H2,(H,12,13).
What are the key properties of 6-[(3-nitro-4-pyridinyl)amino]hexan-1-ol?
6-[(3-nitro-4-pyridinyl)amino]hexan-1-ol has a molecular weight of 239.27 g/mol, XLogP of 1.95, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-nitro-4-pyridinyl)amino]hexan-1-ol is sourced from PubChem (CID 103918222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).