6-fluoro-2H-isoindol-5-amine

C8H7FN2 — CID 141148707

IUPAC6-fluoro-2H-isoindol-5-amine
SMILESNc1cc2c[nH]cc2cc1F
InChIInChI=1S/C8H7FN2/c9-7-1-5-3-11-4-6(5)2-8(7)10/h1-4,11H,10H2
InChIKeyIABZOGOMOAHHNF-UHFFFAOYSA-N
MW150.16 g/mol
LogP1.89
Rot. Bonds

About 6-fluoro-2H-isoindol-5-amine

6-fluoro-2H-isoindol-5-amine (PubChem CID 141148707) has the molecular formula C8H7FN2 and a molecular weight of 150.16 g/mol. Its IUPAC name is 6-fluoro-2H-isoindol-5-amine.

Molecular Properties

Compound Name6-fluoro-2H-isoindol-5-amine
PubChem CID141148707
Molecular FormulaC8H7FN2
Molecular Weight150.16 g/mol
Exact Mass150.06
IUPAC Name6-fluoro-2H-isoindol-5-amine
SMILESNc1cc2c[nH]cc2cc1F
InChIInChI=1S/C8H7FN2/c9-7-1-5-3-11-4-6(5)2-8(7)10/h1-4,11H,10H2
InChIKeyIABZOGOMOAHHNF-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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Related Compounds

5-fluoro-2-methylindazol-6-amine
CID 117110292
6-fluoro-2-methylindazol-5-amine
CID 118626680
5-fluoro-1,2-benzoxazol-6-amine
CID 117110014
CID 152932835
CID 152932835
4-bromo-2,5-difluoroaniline
CID 2773285
6,7-difluoronaphthalen-1-amine
CID 117275397
4-fluoro-6-methylbenzene-1,3-diamine;hydrate
CID 141142247
4-amino-5-fluoro-2-methoxybenzamide
CID 124706175
2-(1,3-dimethylpyrazol-4-yl)-5-fluoro-1H-indol-6-amine
CID 82385817
5-amino-4-fluoro-2-methoxybenzamide;hydrochloride
CID 86711464
2,3,9,10-tetrafluoropentacene
CID 57380949
6-fluoro-3-pyrrolo[2,3-c]pyridin-1-ylisoquinolin-7-amine
CID 118585652

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2H-isoindol-5-amine?
The IUPAC name of 6-fluoro-2H-isoindol-5-amine (CID 141148707) is 6-fluoro-2H-isoindol-5-amine.
What is the SMILES notation for 6-fluoro-2H-isoindol-5-amine?
The canonical SMILES for 6-fluoro-2H-isoindol-5-amine is Nc1cc2c[nH]cc2cc1F.
What is the InChIKey of 6-fluoro-2H-isoindol-5-amine?
The InChIKey is IABZOGOMOAHHNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7FN2/c9-7-1-5-3-11-4-6(5)2-8(7)10/h1-4,11H,10H2.
What are the key properties of 6-fluoro-2H-isoindol-5-amine?
6-fluoro-2H-isoindol-5-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 6-fluoro-2H-isoindol-5-amine is sourced from PubChem (CID 141148707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).