6-fluoro-2-methylindazol-5-amine

C8H8FN3 — CID 118626680

IUPAC6-fluoro-2-methylindazol-5-amine
SMILESCn1cc2cc(N)c(F)cc2n1
InChIInChI=1S/C8H8FN3/c1-12-4-5-2-7(10)6(9)3-8(5)11-12/h2-4H,10H2,1H3
InChIKeyWDWZXOSDCZYZJC-UHFFFAOYSA-N
MW165.17 g/mol
LogP1.29
Rot. Bonds

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

6-fluoro-2-methylindazol-5-amine (PubChem CID 118626680) has the molecular formula C8H8FN3 and a molecular weight of 165.17 g/mol. Its IUPAC name is 6-fluoro-2-methylindazol-5-amine.

Molecular Properties

Compound Name6-fluoro-2-methylindazol-5-amine
PubChem CID118626680
Molecular FormulaC8H8FN3
Molecular Weight165.17 g/mol
Exact Mass165.07
IUPAC Name6-fluoro-2-methylindazol-5-amine
SMILESCn1cc2cc(N)c(F)cc2n1
InChIInChI=1S/C8H8FN3/c1-12-4-5-2-7(10)6(9)3-8(5)11-12/h2-4H,10H2,1H3
InChIKeyWDWZXOSDCZYZJC-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 6-fluoro-2-methylindazol-5-amine?
The IUPAC name of 6-fluoro-2-methylindazol-5-amine (CID 118626680) is 6-fluoro-2-methylindazol-5-amine.
What is the SMILES notation for 6-fluoro-2-methylindazol-5-amine?
The canonical SMILES for 6-fluoro-2-methylindazol-5-amine is Cn1cc2cc(N)c(F)cc2n1.
What is the InChIKey of 6-fluoro-2-methylindazol-5-amine?
The InChIKey is WDWZXOSDCZYZJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8FN3/c1-12-4-5-2-7(10)6(9)3-8(5)11-12/h2-4H,10H2,1H3.
What are the key properties of 6-fluoro-2-methylindazol-5-amine?
6-fluoro-2-methylindazol-5-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 6-fluoro-2-methylindazol-5-amine is sourced from PubChem (CID 118626680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).