1-azido-2-chloropropane

C3H6ClN3 — CID 141342306

IUPAC1-azido-2-chloropropane
SMILESCC(Cl)CN=[N+]=[N-]
InChIInChI=1S/C3H6ClN3/c1-3(4)2-6-7-5/h3H,2H2,1H3
InChIKeyNAXOWAGAHWVEPS-UHFFFAOYSA-N
MW119.55 g/mol
LogP1.92
Rot. Bonds2

About 1-azido-2-chloropropane

1-azido-2-chloropropane (PubChem CID 141342306) has the molecular formula C3H6ClN3 and a molecular weight of 119.55 g/mol. Its IUPAC name is 1-azido-2-chloropropane.

Molecular Properties

Compound Name1-azido-2-chloropropane
PubChem CID141342306
Molecular FormulaC3H6ClN3
Molecular Weight119.55 g/mol
Exact Mass119.03
IUPAC Name1-azido-2-chloropropane
SMILESCC(Cl)CN=[N+]=[N-]
InChIInChI=1S/C3H6ClN3/c1-3(4)2-6-7-5/h3H,2H2,1H3
InChIKeyNAXOWAGAHWVEPS-UHFFFAOYSA-N
XLogP1.92
TPSA48.76 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.55
LogP ≤ 51.92
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': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-azido-2-chloropropane?
The IUPAC name of 1-azido-2-chloropropane (CID 141342306) is 1-azido-2-chloropropane.
What is the SMILES notation for 1-azido-2-chloropropane?
The canonical SMILES for 1-azido-2-chloropropane is CC(Cl)CN=[N+]=[N-].
What is the InChIKey of 1-azido-2-chloropropane?
The InChIKey is NAXOWAGAHWVEPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6ClN3/c1-3(4)2-6-7-5/h3H,2H2,1H3.
What are the key properties of 1-azido-2-chloropropane?
1-azido-2-chloropropane has a molecular weight of 119.55 g/mol, XLogP of 1.92, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-azido-2-chloropropane is sourced from PubChem (CID 141342306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).