6-fluoro-9H-carbazole-2,3,4-triol

C12H8FNO3 — CID 171714942

IUPAC6-fluoro-9H-carbazole-2,3,4-triol
SMILESOc1cc2[nH]c3ccc(F)cc3c2c(O)c1O
InChIInChI=1S/C12H8FNO3/c13-5-1-2-7-6(3-5)10-8(14-7)4-9(15)11(16)12(10)17/h1-4,14-17H
InChIKeyVKEQZGRGWSRJQM-UHFFFAOYSA-N
MW233.20 g/mol
LogP2.58
Rot. Bonds

About 6-fluoro-9H-carbazole-2,3,4-triol

6-fluoro-9H-carbazole-2,3,4-triol (PubChem CID 171714942) has the molecular formula C12H8FNO3 and a molecular weight of 233.20 g/mol. Its IUPAC name is 6-fluoro-9H-carbazole-2,3,4-triol.

Molecular Properties

Compound Name6-fluoro-9H-carbazole-2,3,4-triol
PubChem CID171714942
Molecular FormulaC12H8FNO3
Molecular Weight233.20 g/mol
Exact Mass233.05
IUPAC Name6-fluoro-9H-carbazole-2,3,4-triol
SMILESOc1cc2[nH]c3ccc(F)cc3c2c(O)c1O
InChIInChI=1S/C12H8FNO3/c13-5-1-2-7-6(3-5)10-8(14-7)4-9(15)11(16)12(10)17/h1-4,14-17H
InChIKeyVKEQZGRGWSRJQM-UHFFFAOYSA-N
XLogP2.58
TPSA76.48 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.20
LogP ≤ 52.58
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-9H-carbazole-2,3,4-triol?
The IUPAC name of 6-fluoro-9H-carbazole-2,3,4-triol (CID 171714942) is 6-fluoro-9H-carbazole-2,3,4-triol.
What is the SMILES notation for 6-fluoro-9H-carbazole-2,3,4-triol?
The canonical SMILES for 6-fluoro-9H-carbazole-2,3,4-triol is Oc1cc2[nH]c3ccc(F)cc3c2c(O)c1O.
What is the InChIKey of 6-fluoro-9H-carbazole-2,3,4-triol?
The InChIKey is VKEQZGRGWSRJQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8FNO3/c13-5-1-2-7-6(3-5)10-8(14-7)4-9(15)11(16)12(10)17/h1-4,14-17H.
What are the key properties of 6-fluoro-9H-carbazole-2,3,4-triol?
6-fluoro-9H-carbazole-2,3,4-triol has a molecular weight of 233.20 g/mol, XLogP of 2.58, 0 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-9H-carbazole-2,3,4-triol is sourced from PubChem (CID 171714942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).