5,6-dibromo-1H-indazol-3-amine

C7H5Br2N3 — CID 22319557

IUPAC5,6-dibromo-1H-indazol-3-amine
SMILESNc1n[nH]c2cc(Br)c(Br)cc12
InChIInChI=1S/C7H5Br2N3/c8-4-1-3-6(2-5(4)9)11-12-7(3)10/h1-2H,(H3,10,11,12)
InChIKeyJBQKKBNZAYCICB-UHFFFAOYSA-N
MW290.95 g/mol
LogP2.67
Rot. Bonds

About 5,6-dibromo-1H-indazol-3-amine

5,6-dibromo-1H-indazol-3-amine (PubChem CID 22319557) has the molecular formula C7H5Br2N3 and a molecular weight of 290.95 g/mol. Its IUPAC name is 5,6-dibromo-1H-indazol-3-amine.

Molecular Properties

Compound Name5,6-dibromo-1H-indazol-3-amine
PubChem CID22319557
Molecular FormulaC7H5Br2N3
Molecular Weight290.95 g/mol
Exact Mass288.89
IUPAC Name5,6-dibromo-1H-indazol-3-amine
SMILESNc1n[nH]c2cc(Br)c(Br)cc12
InChIInChI=1S/C7H5Br2N3/c8-4-1-3-6(2-5(4)9)11-12-7(3)10/h1-2H,(H3,10,11,12)
InChIKeyJBQKKBNZAYCICB-UHFFFAOYSA-N
XLogP2.67
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.95
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,6-dibromo-1H-indazol-3-amine?
The IUPAC name of 5,6-dibromo-1H-indazol-3-amine (CID 22319557) is 5,6-dibromo-1H-indazol-3-amine.
What is the SMILES notation for 5,6-dibromo-1H-indazol-3-amine?
The canonical SMILES for 5,6-dibromo-1H-indazol-3-amine is Nc1n[nH]c2cc(Br)c(Br)cc12.
What is the InChIKey of 5,6-dibromo-1H-indazol-3-amine?
The InChIKey is JBQKKBNZAYCICB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5Br2N3/c8-4-1-3-6(2-5(4)9)11-12-7(3)10/h1-2H,(H3,10,11,12).
What are the key properties of 5,6-dibromo-1H-indazol-3-amine?
5,6-dibromo-1H-indazol-3-amine has a molecular weight of 290.95 g/mol, XLogP of 2.67, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dibromo-1H-indazol-3-amine is sourced from PubChem (CID 22319557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).