7-bromo-4-chloro-1H-indazol-3-amine

C7H5BrClN3 — CID 90376606

IUPAC7-bromo-4-chloro-1H-indazol-3-amine
SMILESNc1n[nH]c2c(Br)ccc(Cl)c12
InChIInChI=1S/C7H5BrClN3/c8-3-1-2-4(9)5-6(3)11-12-7(5)10/h1-2H,(H3,10,11,12)
InChIKeyIQJRJSKDZJKCIW-UHFFFAOYSA-N
MW246.50 g/mol
LogP2.56
Rot. Bonds

About 7-bromo-4-chloro-1H-indazol-3-amine

7-bromo-4-chloro-1H-indazol-3-amine (PubChem CID 90376606) has the molecular formula C7H5BrClN3 and a molecular weight of 246.50 g/mol. Its IUPAC name is 7-bromo-4-chloro-1H-indazol-3-amine.

Molecular Properties

Compound Name7-bromo-4-chloro-1H-indazol-3-amine
PubChem CID90376606
Molecular FormulaC7H5BrClN3
Molecular Weight246.50 g/mol
Exact Mass244.94
IUPAC Name7-bromo-4-chloro-1H-indazol-3-amine
SMILESNc1n[nH]c2c(Br)ccc(Cl)c12
InChIInChI=1S/C7H5BrClN3/c8-3-1-2-4(9)5-6(3)11-12-7(5)10/h1-2H,(H3,10,11,12)
InChIKeyIQJRJSKDZJKCIW-UHFFFAOYSA-N
XLogP2.56
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.50
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-4-chloro-1H-indazol-3-amine?
The IUPAC name of 7-bromo-4-chloro-1H-indazol-3-amine (CID 90376606) is 7-bromo-4-chloro-1H-indazol-3-amine.
What is the SMILES notation for 7-bromo-4-chloro-1H-indazol-3-amine?
The canonical SMILES for 7-bromo-4-chloro-1H-indazol-3-amine is Nc1n[nH]c2c(Br)ccc(Cl)c12.
What is the InChIKey of 7-bromo-4-chloro-1H-indazol-3-amine?
The InChIKey is IQJRJSKDZJKCIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrClN3/c8-3-1-2-4(9)5-6(3)11-12-7(5)10/h1-2H,(H3,10,11,12).
What are the key properties of 7-bromo-4-chloro-1H-indazol-3-amine?
7-bromo-4-chloro-1H-indazol-3-amine has a molecular weight of 246.50 g/mol, XLogP of 2.56, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-4-chloro-1H-indazol-3-amine is sourced from PubChem (CID 90376606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).