3-(1-fluoroethyl)-2H-indazol-6-amine

C9H10FN3 — CID 84656857

IUPAC3-(1-fluoroethyl)-2H-indazol-6-amine
SMILESCC(F)c1[nH]nc2cc(N)ccc12
InChIInChI=1S/C9H10FN3/c1-5(10)9-7-3-2-6(11)4-8(7)12-13-9/h2-5H,11H2,1H3,(H,12,13)
InChIKeyIZJLLLLQGGLGIR-UHFFFAOYSA-N
MW179.20 g/mol
LogP2.18
Rot. Bonds1

About 3-(1-fluoroethyl)-2H-indazol-6-amine

3-(1-fluoroethyl)-2H-indazol-6-amine (PubChem CID 84656857) has the molecular formula C9H10FN3 and a molecular weight of 179.20 g/mol. Its IUPAC name is 3-(1-fluoroethyl)-2H-indazol-6-amine.

Molecular Properties

Compound Name3-(1-fluoroethyl)-2H-indazol-6-amine
PubChem CID84656857
Molecular FormulaC9H10FN3
Molecular Weight179.20 g/mol
Exact Mass179.09
IUPAC Name3-(1-fluoroethyl)-2H-indazol-6-amine
SMILESCC(F)c1[nH]nc2cc(N)ccc12
InChIInChI=1S/C9H10FN3/c1-5(10)9-7-3-2-6(11)4-8(7)12-13-9/h2-5H,11H2,1H3,(H,12,13)
InChIKeyIZJLLLLQGGLGIR-UHFFFAOYSA-N
XLogP2.18
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.20
LogP ≤ 52.18
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 3-(1-fluoroethyl)-2H-indazol-6-amine?
The IUPAC name of 3-(1-fluoroethyl)-2H-indazol-6-amine (CID 84656857) is 3-(1-fluoroethyl)-2H-indazol-6-amine.
What is the SMILES notation for 3-(1-fluoroethyl)-2H-indazol-6-amine?
The canonical SMILES for 3-(1-fluoroethyl)-2H-indazol-6-amine is CC(F)c1[nH]nc2cc(N)ccc12.
What is the InChIKey of 3-(1-fluoroethyl)-2H-indazol-6-amine?
The InChIKey is IZJLLLLQGGLGIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FN3/c1-5(10)9-7-3-2-6(11)4-8(7)12-13-9/h2-5H,11H2,1H3,(H,12,13).
What are the key properties of 3-(1-fluoroethyl)-2H-indazol-6-amine?
3-(1-fluoroethyl)-2H-indazol-6-amine has a molecular weight of 179.20 g/mol, XLogP of 2.18, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-fluoroethyl)-2H-indazol-6-amine is sourced from PubChem (CID 84656857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).