2-(4-bromo-3-chloroindazol-2-yl)ethanamine

C9H9BrClN3 — CID 84730235

IUPAC2-(4-bromo-3-chloroindazol-2-yl)ethanamine
SMILESNCCn1nc2cccc(Br)c2c1Cl
InChIInChI=1S/C9H9BrClN3/c10-6-2-1-3-7-8(6)9(11)14(13-7)5-4-12/h1-3H,4-5,12H2
InChIKeyPTYQOVVSCKNPIU-UHFFFAOYSA-N
MW274.55 g/mol
LogP2.41
Rot. Bonds2

About 2-(4-bromo-3-chloroindazol-2-yl)ethanamine

2-(4-bromo-3-chloroindazol-2-yl)ethanamine (PubChem CID 84730235) has the molecular formula C9H9BrClN3 and a molecular weight of 274.55 g/mol. Its IUPAC name is 2-(4-bromo-3-chloroindazol-2-yl)ethanamine.

Molecular Properties

Compound Name2-(4-bromo-3-chloroindazol-2-yl)ethanamine
PubChem CID84730235
Molecular FormulaC9H9BrClN3
Molecular Weight274.55 g/mol
Exact Mass272.97
IUPAC Name2-(4-bromo-3-chloroindazol-2-yl)ethanamine
SMILESNCCn1nc2cccc(Br)c2c1Cl
InChIInChI=1S/C9H9BrClN3/c10-6-2-1-3-7-8(6)9(11)14(13-7)5-4-12/h1-3H,4-5,12H2
InChIKeyPTYQOVVSCKNPIU-UHFFFAOYSA-N
XLogP2.41
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.55
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-3-chloroindazol-2-yl)ethanamine?
The IUPAC name of 2-(4-bromo-3-chloroindazol-2-yl)ethanamine (CID 84730235) is 2-(4-bromo-3-chloroindazol-2-yl)ethanamine.
What is the SMILES notation for 2-(4-bromo-3-chloroindazol-2-yl)ethanamine?
The canonical SMILES for 2-(4-bromo-3-chloroindazol-2-yl)ethanamine is NCCn1nc2cccc(Br)c2c1Cl.
What is the InChIKey of 2-(4-bromo-3-chloroindazol-2-yl)ethanamine?
The InChIKey is PTYQOVVSCKNPIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrClN3/c10-6-2-1-3-7-8(6)9(11)14(13-7)5-4-12/h1-3H,4-5,12H2.
What are the key properties of 2-(4-bromo-3-chloroindazol-2-yl)ethanamine?
2-(4-bromo-3-chloroindazol-2-yl)ethanamine has a molecular weight of 274.55 g/mol, XLogP of 2.41, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-3-chloroindazol-2-yl)ethanamine is sourced from PubChem (CID 84730235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).