1-azido-2,3-dichlorobenzene

C6H3Cl2N3 — CID 12681402

IUPAC1-azido-2,3-dichlorobenzene
SMILES[N-]=[N+]=Nc1cccc(Cl)c1Cl
InChIInChI=1S/C6H3Cl2N3/c7-4-2-1-3-5(6(4)8)10-11-9/h1-3H
InChIKeyBHBXJLPKEBZTAU-UHFFFAOYSA-N
MW188.02 g/mol
LogP3.94
Rot. Bonds1

About 1-azido-2,3-dichlorobenzene

1-azido-2,3-dichlorobenzene (PubChem CID 12681402) has the molecular formula C6H3Cl2N3 and a molecular weight of 188.02 g/mol. Its IUPAC name is 1-azido-2,3-dichlorobenzene.

Molecular Properties

Compound Name1-azido-2,3-dichlorobenzene
PubChem CID12681402
Molecular FormulaC6H3Cl2N3
Molecular Weight188.02 g/mol
Exact Mass186.97
IUPAC Name1-azido-2,3-dichlorobenzene
SMILES[N-]=[N+]=Nc1cccc(Cl)c1Cl
InChIInChI=1S/C6H3Cl2N3/c7-4-2-1-3-5(6(4)8)10-11-9/h1-3H
InChIKeyBHBXJLPKEBZTAU-UHFFFAOYSA-N
XLogP3.94
TPSA48.76 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.02
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 1-azido-2,3-dichlorobenzene?
The IUPAC name of 1-azido-2,3-dichlorobenzene (CID 12681402) is 1-azido-2,3-dichlorobenzene.
What is the SMILES notation for 1-azido-2,3-dichlorobenzene?
The canonical SMILES for 1-azido-2,3-dichlorobenzene is [N-]=[N+]=Nc1cccc(Cl)c1Cl.
What is the InChIKey of 1-azido-2,3-dichlorobenzene?
The InChIKey is BHBXJLPKEBZTAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3Cl2N3/c7-4-2-1-3-5(6(4)8)10-11-9/h1-3H.
What are the key properties of 1-azido-2,3-dichlorobenzene?
1-azido-2,3-dichlorobenzene has a molecular weight of 188.02 g/mol, XLogP of 3.94, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-azido-2,3-dichlorobenzene is sourced from PubChem (CID 12681402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).