6-amino-5-fluoro-2H-isoindol-1-ol

C8H7FN2O — CID 91307794

IUPAC6-amino-5-fluoro-2H-isoindol-1-ol
SMILESNc1cc2c(O)[nH]cc2cc1F
InChIInChI=1S/C8H7FN2O/c9-6-1-4-3-11-8(12)5(4)2-7(6)10/h1-3,11-12H,10H2
InChIKeyAXSIYBNMURXORZ-UHFFFAOYSA-N
MW166.16 g/mol
LogP1.59
Rot. Bonds

About 6-amino-5-fluoro-2H-isoindol-1-ol

6-amino-5-fluoro-2H-isoindol-1-ol (PubChem CID 91307794) has the molecular formula C8H7FN2O and a molecular weight of 166.16 g/mol. Its IUPAC name is 6-amino-5-fluoro-2H-isoindol-1-ol.

Molecular Properties

Compound Name6-amino-5-fluoro-2H-isoindol-1-ol
PubChem CID91307794
Molecular FormulaC8H7FN2O
Molecular Weight166.16 g/mol
Exact Mass166.05
IUPAC Name6-amino-5-fluoro-2H-isoindol-1-ol
SMILESNc1cc2c(O)[nH]cc2cc1F
InChIInChI=1S/C8H7FN2O/c9-6-1-4-3-11-8(12)5(4)2-7(6)10/h1-3,11-12H,10H2
InChIKeyAXSIYBNMURXORZ-UHFFFAOYSA-N
XLogP1.59
TPSA62.04 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.16
LogP ≤ 51.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[(4-fluorophenyl)iminomethyl]-1H-indol-2-ol
CID 2256125
(3Z)-3-{[(2-Fluorophenyl)amino]methylidene}-2,3-dihydro-1H-indol-2-one
CID 4192547
6-Fluoroserotonin
CID 194142
3-[(3-fluorophenyl)iminomethyl]-1H-indol-2-ol
CID 4169575
3-[(E)-2-chloro-3-iminoprop-1-enyl]-5-fluoro-1H-indol-2-ol
CID 137300476
3-[(allylamino)methylene]-1,3-dihydro-2H-indol-2-one
CID 2859790
Isoindolol
CID 21225249
3-Aminomethyleneindolinone
CID 136180636
6-fluoro-2H-isoindol-1-ol
CID 54270389
4-fluoro-2H-isoindol-1-ol
CID 54413322
2-[2-(2-Fluorophenyl)ethyl]-7-(pyridin-4-ylmethylamino)isoindol-1-ol
CID 90685162
5-ethyl-6-fluoro-3-(1H-pyrrol-2-yl)-1,5-dihydrobenzo[cd]indol-2-ol
CID 90688341

Frequently Asked Questions

What is the IUPAC name of 6-amino-5-fluoro-2H-isoindol-1-ol?
The IUPAC name of 6-amino-5-fluoro-2H-isoindol-1-ol (CID 91307794) is 6-amino-5-fluoro-2H-isoindol-1-ol.
What is the SMILES notation for 6-amino-5-fluoro-2H-isoindol-1-ol?
The canonical SMILES for 6-amino-5-fluoro-2H-isoindol-1-ol is Nc1cc2c(O)[nH]cc2cc1F.
What is the InChIKey of 6-amino-5-fluoro-2H-isoindol-1-ol?
The InChIKey is AXSIYBNMURXORZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7FN2O/c9-6-1-4-3-11-8(12)5(4)2-7(6)10/h1-3,11-12H,10H2.
What are the key properties of 6-amino-5-fluoro-2H-isoindol-1-ol?
6-amino-5-fluoro-2H-isoindol-1-ol has a molecular weight of 166.16 g/mol, XLogP of 1.59, 0 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-fluoro-2H-isoindol-1-ol is sourced from PubChem (CID 91307794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).