1-azidohexan-2-ol

C6H13N3O — CID 11171039

IUPAC1-azidohexan-2-ol
SMILESCCCCC(O)CN=[N+]=[N-]
InChIInChI=1S/C6H13N3O/c1-2-3-4-6(10)5-8-9-7/h6,10H,2-5H2,1H3
InChIKeyVNWZEAGGPLAHAH-UHFFFAOYSA-N
MW143.19 g/mol
LogP1.85
Rot. Bonds5

About 1-azidohexan-2-ol

1-azidohexan-2-ol (PubChem CID 11171039) has the molecular formula C6H13N3O and a molecular weight of 143.19 g/mol. Its IUPAC name is 1-azidohexan-2-ol.

Molecular Properties

Compound Name1-azidohexan-2-ol
PubChem CID11171039
Molecular FormulaC6H13N3O
Molecular Weight143.19 g/mol
Exact Mass143.11
IUPAC Name1-azidohexan-2-ol
SMILESCCCCC(O)CN=[N+]=[N-]
InChIInChI=1S/C6H13N3O/c1-2-3-4-6(10)5-8-9-7/h6,10H,2-5H2,1H3
InChIKeyVNWZEAGGPLAHAH-UHFFFAOYSA-N
XLogP1.85
TPSA68.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

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(2S)-1-azido-4-methylpentan-2-ol
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CID 172776718
1-amino-3-azidopropan-2-ol
CID 150484023
(5R,7S)-undecane-5,7-diol
CID 10899409
ethyl 4-azido-3-hydroxybutanoate
CID 14685344
ethyl (3S)-4-azido-3-hydroxybutanoate
CID 10888398
decane-4,6-diol;scandium
CID 164810305
ethane-1,2-diol;octan-4-ol
CID 174867706
(2S)-5-azidopentane-1,2-diol
CID 22854627
5-azidopentane-1,2,4-triol
CID 90777098
sodium (5Z,14Z,19R)-20-azido-19-hydroxyicosa-5,14-dienoate
CID 153316584

Frequently Asked Questions

What is the IUPAC name of 1-azidohexan-2-ol?
The IUPAC name of 1-azidohexan-2-ol (CID 11171039) is 1-azidohexan-2-ol.
What is the SMILES notation for 1-azidohexan-2-ol?
The canonical SMILES for 1-azidohexan-2-ol is CCCCC(O)CN=[N+]=[N-].
What is the InChIKey of 1-azidohexan-2-ol?
The InChIKey is VNWZEAGGPLAHAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N3O/c1-2-3-4-6(10)5-8-9-7/h6,10H,2-5H2,1H3.
What are the key properties of 1-azidohexan-2-ol?
1-azidohexan-2-ol has a molecular weight of 143.19 g/mol, XLogP of 1.85, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-azidohexan-2-ol is sourced from PubChem (CID 11171039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).