5-fluoro-1H-indol-7-amine

C8H7FN2 — CID 86702437

IUPAC5-fluoro-1H-indol-7-amine
SMILESNc1cc(F)cc2cc[nH]c12
InChIInChI=1S/C8H7FN2/c9-6-3-5-1-2-11-8(5)7(10)4-6/h1-4,11H,10H2
InChIKeyFGNBQVXDZXGKBI-UHFFFAOYSA-N
MW150.16 g/mol
LogP1.89
Rot. Bonds

About 5-fluoro-1H-indol-7-amine

5-fluoro-1H-indol-7-amine (PubChem CID 86702437) has the molecular formula C8H7FN2 and a molecular weight of 150.16 g/mol. Its IUPAC name is 5-fluoro-1H-indol-7-amine.

Molecular Properties

Compound Name5-fluoro-1H-indol-7-amine
PubChem CID86702437
Molecular FormulaC8H7FN2
Molecular Weight150.16 g/mol
Exact Mass150.06
IUPAC Name5-fluoro-1H-indol-7-amine
SMILESNc1cc(F)cc2cc[nH]c12
InChIInChI=1S/C8H7FN2/c9-6-3-5-1-2-11-8(5)7(10)4-6/h1-4,11H,10H2
InChIKeyFGNBQVXDZXGKBI-UHFFFAOYSA-N
XLogP1.89
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.16
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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-1H-indol-7-amine?
The IUPAC name of 5-fluoro-1H-indol-7-amine (CID 86702437) is 5-fluoro-1H-indol-7-amine.
What is the SMILES notation for 5-fluoro-1H-indol-7-amine?
The canonical SMILES for 5-fluoro-1H-indol-7-amine is Nc1cc(F)cc2cc[nH]c12.
What is the InChIKey of 5-fluoro-1H-indol-7-amine?
The InChIKey is FGNBQVXDZXGKBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7FN2/c9-6-3-5-1-2-11-8(5)7(10)4-6/h1-4,11H,10H2.
What are the key properties of 5-fluoro-1H-indol-7-amine?
5-fluoro-1H-indol-7-amine has a molecular weight of 150.16 g/mol, XLogP of 1.89, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1H-indol-7-amine is sourced from PubChem (CID 86702437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).