5-fluoro-2-methylindazol-6-amine

C8H8FN3 — CID 117110292

IUPAC5-fluoro-2-methylindazol-6-amine
SMILESCn1cc2cc(F)c(N)cc2n1
InChIInChI=1S/C8H8FN3/c1-12-4-5-2-6(9)7(10)3-8(5)11-12/h2-4H,10H2,1H3
InChIKeyBTSZKTWRISJQEE-UHFFFAOYSA-N
MW165.17 g/mol
LogP1.29
Rot. Bonds

About 5-fluoro-2-methylindazol-6-amine

5-fluoro-2-methylindazol-6-amine (PubChem CID 117110292) has the molecular formula C8H8FN3 and a molecular weight of 165.17 g/mol. Its IUPAC name is 5-fluoro-2-methylindazol-6-amine.

Molecular Properties

Compound Name5-fluoro-2-methylindazol-6-amine
PubChem CID117110292
Molecular FormulaC8H8FN3
Molecular Weight165.17 g/mol
Exact Mass165.07
IUPAC Name5-fluoro-2-methylindazol-6-amine
SMILESCn1cc2cc(F)c(N)cc2n1
InChIInChI=1S/C8H8FN3/c1-12-4-5-2-6(9)7(10)3-8(5)11-12/h2-4H,10H2,1H3
InChIKeyBTSZKTWRISJQEE-UHFFFAOYSA-N
XLogP1.29
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.17
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-methylindazol-6-amine?
The IUPAC name of 5-fluoro-2-methylindazol-6-amine (CID 117110292) is 5-fluoro-2-methylindazol-6-amine.
What is the SMILES notation for 5-fluoro-2-methylindazol-6-amine?
The canonical SMILES for 5-fluoro-2-methylindazol-6-amine is Cn1cc2cc(F)c(N)cc2n1.
What is the InChIKey of 5-fluoro-2-methylindazol-6-amine?
The InChIKey is BTSZKTWRISJQEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8FN3/c1-12-4-5-2-6(9)7(10)3-8(5)11-12/h2-4H,10H2,1H3.
What are the key properties of 5-fluoro-2-methylindazol-6-amine?
5-fluoro-2-methylindazol-6-amine has a molecular weight of 165.17 g/mol, XLogP of 1.29, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-methylindazol-6-amine is sourced from PubChem (CID 117110292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).