4-bromo-5-(2-fluorophenyl)-1H-indazol-7-amine

C13H9BrFN3 — CID 59263744

IUPAC4-bromo-5-(2-fluorophenyl)-1H-indazol-7-amine
SMILESNc1cc(-c2ccccc2F)c(Br)c2cn[nH]c12
InChIInChI=1S/C13H9BrFN3/c14-12-8(7-3-1-2-4-10(7)15)5-11(16)13-9(12)6-17-18-13/h1-6H,16H2,(H,17,18)
InChIKeyUDXFCJXUQQLYRV-UHFFFAOYSA-N
MW306.14 g/mol
LogP3.71
Rot. Bonds1

About 4-bromo-5-(2-fluorophenyl)-1H-indazol-7-amine

4-bromo-5-(2-fluorophenyl)-1H-indazol-7-amine (PubChem CID 59263744) has the molecular formula C13H9BrFN3 and a molecular weight of 306.14 g/mol. Its IUPAC name is 4-bromo-5-(2-fluorophenyl)-1H-indazol-7-amine.

Molecular Properties

Compound Name4-bromo-5-(2-fluorophenyl)-1H-indazol-7-amine
PubChem CID59263744
Molecular FormulaC13H9BrFN3
Molecular Weight306.14 g/mol
Exact Mass305.00
IUPAC Name4-bromo-5-(2-fluorophenyl)-1H-indazol-7-amine
SMILESNc1cc(-c2ccccc2F)c(Br)c2cn[nH]c12
InChIInChI=1S/C13H9BrFN3/c14-12-8(7-3-1-2-4-10(7)15)5-11(16)13-9(12)6-17-18-13/h1-6H,16H2,(H,17,18)
InChIKeyUDXFCJXUQQLYRV-UHFFFAOYSA-N
XLogP3.71
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.14
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-(2-fluorophenyl)-1H-indazol-7-amine?
The IUPAC name of 4-bromo-5-(2-fluorophenyl)-1H-indazol-7-amine (CID 59263744) is 4-bromo-5-(2-fluorophenyl)-1H-indazol-7-amine.
What is the SMILES notation for 4-bromo-5-(2-fluorophenyl)-1H-indazol-7-amine?
The canonical SMILES for 4-bromo-5-(2-fluorophenyl)-1H-indazol-7-amine is Nc1cc(-c2ccccc2F)c(Br)c2cn[nH]c12.
What is the InChIKey of 4-bromo-5-(2-fluorophenyl)-1H-indazol-7-amine?
The InChIKey is UDXFCJXUQQLYRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrFN3/c14-12-8(7-3-1-2-4-10(7)15)5-11(16)13-9(12)6-17-18-13/h1-6H,16H2,(H,17,18).
What are the key properties of 4-bromo-5-(2-fluorophenyl)-1H-indazol-7-amine?
4-bromo-5-(2-fluorophenyl)-1H-indazol-7-amine has a molecular weight of 306.14 g/mol, XLogP of 3.71, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-(2-fluorophenyl)-1H-indazol-7-amine is sourced from PubChem (CID 59263744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).