2-azido-3-iodo-3-methylbutan-1-ol

C5H10IN3O — CID 134993091

IUPAC2-azido-3-iodo-3-methylbutan-1-ol
SMILESCC(C)(I)C(CO)N=[N+]=[N-]
InChIInChI=1S/C5H10IN3O/c1-5(2,6)4(3-10)8-9-7/h4,10H,3H2,1-2H3
InChIKeyKZPNJNNUWZAKCS-UHFFFAOYSA-N
MW255.06 g/mol
LogP1.87
Rot. Bonds3

About 2-azido-3-iodo-3-methylbutan-1-ol

2-azido-3-iodo-3-methylbutan-1-ol (PubChem CID 134993091) has the molecular formula C5H10IN3O and a molecular weight of 255.06 g/mol. Its IUPAC name is 2-azido-3-iodo-3-methylbutan-1-ol.

Molecular Properties

Compound Name2-azido-3-iodo-3-methylbutan-1-ol
PubChem CID134993091
Molecular FormulaC5H10IN3O
Molecular Weight255.06 g/mol
Exact Mass254.99
IUPAC Name2-azido-3-iodo-3-methylbutan-1-ol
SMILESCC(C)(I)C(CO)N=[N+]=[N-]
InChIInChI=1S/C5H10IN3O/c1-5(2,6)4(3-10)8-9-7/h4,10H,3H2,1-2H3
InChIKeyKZPNJNNUWZAKCS-UHFFFAOYSA-N
XLogP1.87
TPSA68.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.06
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-azido-3-iodo-3-methylbutan-1-ol?
The IUPAC name of 2-azido-3-iodo-3-methylbutan-1-ol (CID 134993091) is 2-azido-3-iodo-3-methylbutan-1-ol.
What is the SMILES notation for 2-azido-3-iodo-3-methylbutan-1-ol?
The canonical SMILES for 2-azido-3-iodo-3-methylbutan-1-ol is CC(C)(I)C(CO)N=[N+]=[N-].
What is the InChIKey of 2-azido-3-iodo-3-methylbutan-1-ol?
The InChIKey is KZPNJNNUWZAKCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10IN3O/c1-5(2,6)4(3-10)8-9-7/h4,10H,3H2,1-2H3.
What are the key properties of 2-azido-3-iodo-3-methylbutan-1-ol?
2-azido-3-iodo-3-methylbutan-1-ol has a molecular weight of 255.06 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azido-3-iodo-3-methylbutan-1-ol is sourced from PubChem (CID 134993091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).