4-azidohexan-3-ol

C6H13N3O — CID 14611322

IUPAC4-azidohexan-3-ol
SMILESCCC(O)C(CC)N=[N+]=[N-]
InChIInChI=1S/C6H13N3O/c1-3-5(8-9-7)6(10)4-2/h5-6,10H,3-4H2,1-2H3
InChIKeyCCAUIANJPKGVIL-UHFFFAOYSA-N
MW143.19 g/mol
LogP1.85
Rot. Bonds4

About 4-azidohexan-3-ol

4-azidohexan-3-ol (PubChem CID 14611322) has the molecular formula C6H13N3O and a molecular weight of 143.19 g/mol. Its IUPAC name is 4-azidohexan-3-ol.

Molecular Properties

Compound Name4-azidohexan-3-ol
PubChem CID14611322
Molecular FormulaC6H13N3O
Molecular Weight143.19 g/mol
Exact Mass143.11
IUPAC Name4-azidohexan-3-ol
SMILESCCC(O)C(CC)N=[N+]=[N-]
InChIInChI=1S/C6H13N3O/c1-3-5(8-9-7)6(10)4-2/h5-6,10H,3-4H2,1-2H3
InChIKeyCCAUIANJPKGVIL-UHFFFAOYSA-N
XLogP1.85
TPSA68.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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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Frequently Asked Questions

What is the IUPAC name of 4-azidohexan-3-ol?
The IUPAC name of 4-azidohexan-3-ol (CID 14611322) is 4-azidohexan-3-ol.
What is the SMILES notation for 4-azidohexan-3-ol?
The canonical SMILES for 4-azidohexan-3-ol is CCC(O)C(CC)N=[N+]=[N-].
What is the InChIKey of 4-azidohexan-3-ol?
The InChIKey is CCAUIANJPKGVIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N3O/c1-3-5(8-9-7)6(10)4-2/h5-6,10H,3-4H2,1-2H3.
What are the key properties of 4-azidohexan-3-ol?
4-azidohexan-3-ol has a molecular weight of 143.19 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-azidohexan-3-ol is sourced from PubChem (CID 14611322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).