6-bromo-1H-indazol-7-amine

C7H6BrN3 — CID 141078676

IUPAC6-bromo-1H-indazol-7-amine
SMILESNc1c(Br)ccc2cn[nH]c12
InChIInChI=1S/C7H6BrN3/c8-5-2-1-4-3-10-11-7(4)6(5)9/h1-3H,9H2,(H,10,11)
InChIKeyCNCSXDOYROXNFP-UHFFFAOYSA-N
MW212.05 g/mol
LogP1.91
Rot. Bonds

About 6-bromo-1H-indazol-7-amine

6-bromo-1H-indazol-7-amine (PubChem CID 141078676) has the molecular formula C7H6BrN3 and a molecular weight of 212.05 g/mol. Its IUPAC name is 6-bromo-1H-indazol-7-amine.

Molecular Properties

Compound Name6-bromo-1H-indazol-7-amine
PubChem CID141078676
Molecular FormulaC7H6BrN3
Molecular Weight212.05 g/mol
Exact Mass210.97
IUPAC Name6-bromo-1H-indazol-7-amine
SMILESNc1c(Br)ccc2cn[nH]c12
InChIInChI=1S/C7H6BrN3/c8-5-2-1-4-3-10-11-7(4)6(5)9/h1-3H,9H2,(H,10,11)
InChIKeyCNCSXDOYROXNFP-UHFFFAOYSA-N
XLogP1.91
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.05
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

6-bromo-7-iodo-1H-indazole
CID 171662481
3,6-dibromobenzene-1,2-diamine
CID 159857959
6-hydroxy-1H-indazole-7-sulfonic acid
CID 137216133
7-ethyl-6-methyl-1H-indazole
CID 134184119
7-bromo-6-ethoxy-1H-indazole
CID 171662309
7-ethyl-6-fluoro-1H-indazole
CID 130384228
1H-pyrazolo[4,5-h]isoquinoline
CID 70533280
methyl 6-amino-1H-indazole-7-carboxylate
CID 12637848
2-bromonaphthalen-1-amine
CID 10889478
7-bromo-1H-indazole-5-carbonitrile
CID 131500688
6-propan-2-yl-1H-indazol-7-ol
CID 76846047
N-[(2-bromophenyl)methyl]-1H-indazol-7-amine
CID 43730933

Frequently Asked Questions

What is the IUPAC name of 6-bromo-1H-indazol-7-amine?
The IUPAC name of 6-bromo-1H-indazol-7-amine (CID 141078676) is 6-bromo-1H-indazol-7-amine.
What is the SMILES notation for 6-bromo-1H-indazol-7-amine?
The canonical SMILES for 6-bromo-1H-indazol-7-amine is Nc1c(Br)ccc2cn[nH]c12.
What is the InChIKey of 6-bromo-1H-indazol-7-amine?
The InChIKey is CNCSXDOYROXNFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrN3/c8-5-2-1-4-3-10-11-7(4)6(5)9/h1-3H,9H2,(H,10,11).
What are the key properties of 6-bromo-1H-indazol-7-amine?
6-bromo-1H-indazol-7-amine has a molecular weight of 212.05 g/mol, XLogP of 1.91, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1H-indazol-7-amine is sourced from PubChem (CID 141078676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).