2-(5-chloro-2H-indazol-3-yl)ethanamine

C9H10ClN3 — CID 55254326

IUPAC2-(5-chloro-2H-indazol-3-yl)ethanamine
SMILESNCCc1[nH]nc2ccc(Cl)cc12
InChIInChI=1S/C9H10ClN3/c10-6-1-2-8-7(5-6)9(3-4-11)13-12-8/h1-2,5H,3-4,11H2,(H,12,13)
InChIKeyHACNIDKUBJRQMI-UHFFFAOYSA-N
MW195.65 g/mol
LogP1.72
Rot. Bonds2

About 2-(5-chloro-2H-indazol-3-yl)ethanamine

2-(5-chloro-2H-indazol-3-yl)ethanamine (PubChem CID 55254326) has the molecular formula C9H10ClN3 and a molecular weight of 195.65 g/mol. Its IUPAC name is 2-(5-chloro-2H-indazol-3-yl)ethanamine.

Molecular Properties

Compound Name2-(5-chloro-2H-indazol-3-yl)ethanamine
PubChem CID55254326
Molecular FormulaC9H10ClN3
Molecular Weight195.65 g/mol
Exact Mass195.06
IUPAC Name2-(5-chloro-2H-indazol-3-yl)ethanamine
SMILESNCCc1[nH]nc2ccc(Cl)cc12
InChIInChI=1S/C9H10ClN3/c10-6-1-2-8-7(5-6)9(3-4-11)13-12-8/h1-2,5H,3-4,11H2,(H,12,13)
InChIKeyHACNIDKUBJRQMI-UHFFFAOYSA-N
XLogP1.72
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.65
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2H-indazol-3-yl)ethanamine?
The IUPAC name of 2-(5-chloro-2H-indazol-3-yl)ethanamine (CID 55254326) is 2-(5-chloro-2H-indazol-3-yl)ethanamine.
What is the SMILES notation for 2-(5-chloro-2H-indazol-3-yl)ethanamine?
The canonical SMILES for 2-(5-chloro-2H-indazol-3-yl)ethanamine is NCCc1[nH]nc2ccc(Cl)cc12.
What is the InChIKey of 2-(5-chloro-2H-indazol-3-yl)ethanamine?
The InChIKey is HACNIDKUBJRQMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClN3/c10-6-1-2-8-7(5-6)9(3-4-11)13-12-8/h1-2,5H,3-4,11H2,(H,12,13).
What are the key properties of 2-(5-chloro-2H-indazol-3-yl)ethanamine?
2-(5-chloro-2H-indazol-3-yl)ethanamine has a molecular weight of 195.65 g/mol, XLogP of 1.72, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2H-indazol-3-yl)ethanamine is sourced from PubChem (CID 55254326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).