2-(6-bromo-5-fluoroindazol-1-yl)ethanamine

C9H9BrFN3 — CID 76846200

IUPAC2-(6-bromo-5-fluoroindazol-1-yl)ethanamine
SMILESNCCn1ncc2cc(F)c(Br)cc21
InChIInChI=1S/C9H9BrFN3/c10-7-4-9-6(3-8(7)11)5-13-14(9)2-1-12/h3-5H,1-2,12H2
InChIKeyUSGTXCLYOAPUJU-UHFFFAOYSA-N
MW258.09 g/mol
LogP1.90
Rot. Bonds2

About 2-(6-bromo-5-fluoroindazol-1-yl)ethanamine

2-(6-bromo-5-fluoroindazol-1-yl)ethanamine (PubChem CID 76846200) has the molecular formula C9H9BrFN3 and a molecular weight of 258.09 g/mol. Its IUPAC name is 2-(6-bromo-5-fluoroindazol-1-yl)ethanamine.

Molecular Properties

Compound Name2-(6-bromo-5-fluoroindazol-1-yl)ethanamine
PubChem CID76846200
Molecular FormulaC9H9BrFN3
Molecular Weight258.09 g/mol
Exact Mass257.00
IUPAC Name2-(6-bromo-5-fluoroindazol-1-yl)ethanamine
SMILESNCCn1ncc2cc(F)c(Br)cc21
InChIInChI=1S/C9H9BrFN3/c10-7-4-9-6(3-8(7)11)5-13-14(9)2-1-12/h3-5H,1-2,12H2
InChIKeyUSGTXCLYOAPUJU-UHFFFAOYSA-N
XLogP1.90
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.09
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(6-bromo-5-fluoroindazol-1-yl)ethanamine?
The IUPAC name of 2-(6-bromo-5-fluoroindazol-1-yl)ethanamine (CID 76846200) is 2-(6-bromo-5-fluoroindazol-1-yl)ethanamine.
What is the SMILES notation for 2-(6-bromo-5-fluoroindazol-1-yl)ethanamine?
The canonical SMILES for 2-(6-bromo-5-fluoroindazol-1-yl)ethanamine is NCCn1ncc2cc(F)c(Br)cc21.
What is the InChIKey of 2-(6-bromo-5-fluoroindazol-1-yl)ethanamine?
The InChIKey is USGTXCLYOAPUJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrFN3/c10-7-4-9-6(3-8(7)11)5-13-14(9)2-1-12/h3-5H,1-2,12H2.
What are the key properties of 2-(6-bromo-5-fluoroindazol-1-yl)ethanamine?
2-(6-bromo-5-fluoroindazol-1-yl)ethanamine has a molecular weight of 258.09 g/mol, XLogP of 1.90, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-bromo-5-fluoroindazol-1-yl)ethanamine is sourced from PubChem (CID 76846200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).