6-chloro-3-diazoindazole

C7H3ClN4 — CID 71351828

IUPAC6-chloro-3-diazoindazole
SMILES[N-]=[N+]=C1N=Nc2cc(Cl)ccc21
InChIInChI=1S/C7H3ClN4/c8-4-1-2-5-6(3-4)11-12-7(5)10-9/h1-3H
InChIKeyYXHLSCOIHMUMAL-UHFFFAOYSA-N
MW178.58 g/mol
LogP2.41
Rot. Bonds

About 6-chloro-3-diazoindazole

6-chloro-3-diazoindazole (PubChem CID 71351828) has the molecular formula C7H3ClN4 and a molecular weight of 178.58 g/mol. Its IUPAC name is 6-chloro-3-diazoindazole.

Molecular Properties

Compound Name6-chloro-3-diazoindazole
PubChem CID71351828
Molecular FormulaC7H3ClN4
Molecular Weight178.58 g/mol
Exact Mass178.00
IUPAC Name6-chloro-3-diazoindazole
SMILES[N-]=[N+]=C1N=Nc2cc(Cl)ccc21
InChIInChI=1S/C7H3ClN4/c8-4-1-2-5-6(3-4)11-12-7(5)10-9/h1-3H
InChIKeyYXHLSCOIHMUMAL-UHFFFAOYSA-N
XLogP2.41
TPSA61.12 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.58
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-diazoindazole?
The IUPAC name of 6-chloro-3-diazoindazole (CID 71351828) is 6-chloro-3-diazoindazole.
What is the SMILES notation for 6-chloro-3-diazoindazole?
The canonical SMILES for 6-chloro-3-diazoindazole is [N-]=[N+]=C1N=Nc2cc(Cl)ccc21.
What is the InChIKey of 6-chloro-3-diazoindazole?
The InChIKey is YXHLSCOIHMUMAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3ClN4/c8-4-1-2-5-6(3-4)11-12-7(5)10-9/h1-3H.
What are the key properties of 6-chloro-3-diazoindazole?
6-chloro-3-diazoindazole has a molecular weight of 178.58 g/mol, XLogP of 2.41, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-diazoindazole is sourced from PubChem (CID 71351828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).