2-azido-1-iodopropane

C3H6IN3 — CID 12812093

IUPAC2-azido-1-iodopropane
SMILESCC(CI)N=[N+]=[N-]
InChIInChI=1S/C3H6IN3/c1-3(2-4)6-7-5/h3H,2H2,1H3
InChIKeyMZCHVYFOKQIIHZ-UHFFFAOYSA-N
MW211.01 g/mol
LogP2.12
Rot. Bonds2

About 2-azido-1-iodopropane

2-azido-1-iodopropane (PubChem CID 12812093) has the molecular formula C3H6IN3 and a molecular weight of 211.01 g/mol. Its IUPAC name is 2-azido-1-iodopropane.

Molecular Properties

Compound Name2-azido-1-iodopropane
PubChem CID12812093
Molecular FormulaC3H6IN3
Molecular Weight211.01 g/mol
Exact Mass210.96
IUPAC Name2-azido-1-iodopropane
SMILESCC(CI)N=[N+]=[N-]
InChIInChI=1S/C3H6IN3/c1-3(2-4)6-7-5/h3H,2H2,1H3
InChIKeyMZCHVYFOKQIIHZ-UHFFFAOYSA-N
XLogP2.12
TPSA48.76 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.01
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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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Related Compounds

2,4-diazidopentane
CID 78066525
2-azido-1-fluoropropane
CID 90071862
5-azidohex-1-yne
CID 89255941
1,1-diazidoethane
CID 57220591
(2S)-2-azidononane
CID 102115708
(2R)-2-azidohexadecane
CID 174670947
1,4-diazidopentane
CID 10820774
4-azidopentanenitrile
CID 20505518
(12R)-12-azidotridecan-1-ol
CID 102293443
3-azidopentane
CID 19966832
1-azido-1-chloropropan-2-ol
CID 89479194
(2R)-1-azido-1-chloropropan-2-ol
CID 89415134

Frequently Asked Questions

What is the IUPAC name of 2-azido-1-iodopropane?
The IUPAC name of 2-azido-1-iodopropane (CID 12812093) is 2-azido-1-iodopropane.
What is the SMILES notation for 2-azido-1-iodopropane?
The canonical SMILES for 2-azido-1-iodopropane is CC(CI)N=[N+]=[N-].
What is the InChIKey of 2-azido-1-iodopropane?
The InChIKey is MZCHVYFOKQIIHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6IN3/c1-3(2-4)6-7-5/h3H,2H2,1H3.
What are the key properties of 2-azido-1-iodopropane?
2-azido-1-iodopropane has a molecular weight of 211.01 g/mol, XLogP of 2.12, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azido-1-iodopropane is sourced from PubChem (CID 12812093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).