2-(1-fluoro-2-hydroxyindol-6-yl)-4,5,6,7-tetrahydroisoindole-1,3-diol

C16H15FN2O3 — CID 57272439

IUPAC2-(1-fluoro-2-hydroxyindol-6-yl)-4,5,6,7-tetrahydroisoindole-1,3-diol
SMILESOc1c2c(c(O)n1-c1ccc3cc(O)n(F)c3c1)CCCC2
InChIInChI=1S/C16H15FN2O3/c17-19-13-8-10(6-5-9(13)7-14(19)20)18-15(21)11-3-1-2-4-12(11)16(18)22/h5-8,20-22H,1-4H2
InChIKeyOYRFRVPETXKJEQ-UHFFFAOYSA-N
MW302.31 g/mol
LogP3.16
Rot. Bonds1

About 2-(1-fluoro-2-hydroxyindol-6-yl)-4,5,6,7-tetrahydroisoindole-1,3-diol

2-(1-fluoro-2-hydroxyindol-6-yl)-4,5,6,7-tetrahydroisoindole-1,3-diol (PubChem CID 57272439) has the molecular formula C16H15FN2O3 and a molecular weight of 302.31 g/mol. Its IUPAC name is 2-(1-fluoro-2-hydroxyindol-6-yl)-4,5,6,7-tetrahydroisoindole-1,3-diol.

Molecular Properties

Compound Name2-(1-fluoro-2-hydroxyindol-6-yl)-4,5,6,7-tetrahydroisoindole-1,3-diol
PubChem CID57272439
Molecular FormulaC16H15FN2O3
Molecular Weight302.31 g/mol
Exact Mass302.11
IUPAC Name2-(1-fluoro-2-hydroxyindol-6-yl)-4,5,6,7-tetrahydroisoindole-1,3-diol
SMILESOc1c2c(c(O)n1-c1ccc3cc(O)n(F)c3c1)CCCC2
InChIInChI=1S/C16H15FN2O3/c17-19-13-8-10(6-5-9(13)7-14(19)20)18-15(21)11-3-1-2-4-12(11)16(18)22/h5-8,20-22H,1-4H2
InChIKeyOYRFRVPETXKJEQ-UHFFFAOYSA-N
XLogP3.16
TPSA70.55 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.31
LogP ≤ 53.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1-fluoro-2-hydroxyindol-6-yl)-4,5,6,7-tetrahydroisoindole-1,3-diol?
The IUPAC name of 2-(1-fluoro-2-hydroxyindol-6-yl)-4,5,6,7-tetrahydroisoindole-1,3-diol (CID 57272439) is 2-(1-fluoro-2-hydroxyindol-6-yl)-4,5,6,7-tetrahydroisoindole-1,3-diol.
What is the SMILES notation for 2-(1-fluoro-2-hydroxyindol-6-yl)-4,5,6,7-tetrahydroisoindole-1,3-diol?
The canonical SMILES for 2-(1-fluoro-2-hydroxyindol-6-yl)-4,5,6,7-tetrahydroisoindole-1,3-diol is Oc1c2c(c(O)n1-c1ccc3cc(O)n(F)c3c1)CCCC2.
What is the InChIKey of 2-(1-fluoro-2-hydroxyindol-6-yl)-4,5,6,7-tetrahydroisoindole-1,3-diol?
The InChIKey is OYRFRVPETXKJEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2O3/c17-19-13-8-10(6-5-9(13)7-14(19)20)18-15(21)11-3-1-2-4-12(11)16(18)22/h5-8,20-22H,1-4H2.
What are the key properties of 2-(1-fluoro-2-hydroxyindol-6-yl)-4,5,6,7-tetrahydroisoindole-1,3-diol?
2-(1-fluoro-2-hydroxyindol-6-yl)-4,5,6,7-tetrahydroisoindole-1,3-diol has a molecular weight of 302.31 g/mol, XLogP of 3.16, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-fluoro-2-hydroxyindol-6-yl)-4,5,6,7-tetrahydroisoindole-1,3-diol is sourced from PubChem (CID 57272439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).