4-fluoro-1H-indazol-6-amine

C7H6FN3 — CID 24728151

IUPAC4-fluoro-1H-indazol-6-amine
SMILESNc1cc(F)c2cn[nH]c2c1
InChIInChI=1S/C7H6FN3/c8-6-1-4(9)2-7-5(6)3-10-11-7/h1-3H,9H2,(H,10,11)
InChIKeyBDBVJTWZOAYBSD-UHFFFAOYSA-N
MW151.14 g/mol
LogP1.28
Rot. Bonds

About 4-fluoro-1H-indazol-6-amine

4-fluoro-1H-indazol-6-amine (PubChem CID 24728151) has the molecular formula C7H6FN3 and a molecular weight of 151.14 g/mol. Its IUPAC name is 4-fluoro-1H-indazol-6-amine.

Molecular Properties

Compound Name4-fluoro-1H-indazol-6-amine
PubChem CID24728151
Molecular FormulaC7H6FN3
Molecular Weight151.14 g/mol
Exact Mass151.05
IUPAC Name4-fluoro-1H-indazol-6-amine
SMILESNc1cc(F)c2cn[nH]c2c1
InChIInChI=1S/C7H6FN3/c8-6-1-4(9)2-7-5(6)3-10-11-7/h1-3H,9H2,(H,10,11)
InChIKeyBDBVJTWZOAYBSD-UHFFFAOYSA-N
XLogP1.28
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.14
LogP ≤ 51.28
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 4-fluoro-1H-indazol-6-amine?
The IUPAC name of 4-fluoro-1H-indazol-6-amine (CID 24728151) is 4-fluoro-1H-indazol-6-amine.
What is the SMILES notation for 4-fluoro-1H-indazol-6-amine?
The canonical SMILES for 4-fluoro-1H-indazol-6-amine is Nc1cc(F)c2cn[nH]c2c1.
What is the InChIKey of 4-fluoro-1H-indazol-6-amine?
The InChIKey is BDBVJTWZOAYBSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6FN3/c8-6-1-4(9)2-7-5(6)3-10-11-7/h1-3H,9H2,(H,10,11).
What are the key properties of 4-fluoro-1H-indazol-6-amine?
4-fluoro-1H-indazol-6-amine has a molecular weight of 151.14 g/mol, XLogP of 1.28, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1H-indazol-6-amine is sourced from PubChem (CID 24728151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).