1-(3-fluorophenyl)pyrrole-2,5-diol

C10H8FNO2 — CID 123732146

IUPAC1-(3-fluorophenyl)pyrrole-2,5-diol
SMILESOc1ccc(O)n1-c1cccc(F)c1
InChIInChI=1S/C10H8FNO2/c11-7-2-1-3-8(6-7)12-9(13)4-5-10(12)14/h1-6,13-14H
InChIKeyVEAVAKFIPVJQKK-UHFFFAOYSA-N
MW193.18 g/mol
LogP2.03
Rot. Bonds1

About 1-(3-fluorophenyl)pyrrole-2,5-diol

1-(3-fluorophenyl)pyrrole-2,5-diol (PubChem CID 123732146) has the molecular formula C10H8FNO2 and a molecular weight of 193.18 g/mol. Its IUPAC name is 1-(3-fluorophenyl)pyrrole-2,5-diol.

Molecular Properties

Compound Name1-(3-fluorophenyl)pyrrole-2,5-diol
PubChem CID123732146
Molecular FormulaC10H8FNO2
Molecular Weight193.18 g/mol
Exact Mass193.05
IUPAC Name1-(3-fluorophenyl)pyrrole-2,5-diol
SMILESOc1ccc(O)n1-c1cccc(F)c1
InChIInChI=1S/C10H8FNO2/c11-7-2-1-3-8(6-7)12-9(13)4-5-10(12)14/h1-6,13-14H
InChIKeyVEAVAKFIPVJQKK-UHFFFAOYSA-N
XLogP2.03
TPSA45.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.18
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2,5-Dimethyl-1H-pyrrol-1-yl)phenol
CID 1283353
3-(Fluoromethyl)-1-(5-fluoro-2-methylphenyl)pyrrole-2,5-diol
CID 53787699
2-Fluoro-4-(1H-pyrrol-1-yl)phenol
CID 64792617
2-(2-Fluorophenyl)-4,5,6,7-tetrahydroisoindole-1,3-diol
CID 123175013
2-(4-Fluorophenyl)-4,5,6,7-tetrahydroisoindole-1,3-diol
CID 123536853
1-(4-Chlorophenyl)-3-(iodomethyl)pyrrole-2,5-diol
CID 53787002
1-(3,5-Dichlorophenyl)pyrrole-2,5-diol
CID 53886988
1-Anilinopyrrole-2,5-diol
CID 54040048
1-(2-Chlorophenyl)pyrrole-2,5-diol
CID 54181433
1-(3-Chlorophenyl)pyrrole-2,5-diol
CID 54359620
1-(4-Nitrophenyl)pyrrole-2,5-diol
CID 90748721
1-(4-Methylphenyl)pyrrole-2,5-diol
CID 90898575

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)pyrrole-2,5-diol?
The IUPAC name of 1-(3-fluorophenyl)pyrrole-2,5-diol (CID 123732146) is 1-(3-fluorophenyl)pyrrole-2,5-diol.
What is the SMILES notation for 1-(3-fluorophenyl)pyrrole-2,5-diol?
The canonical SMILES for 1-(3-fluorophenyl)pyrrole-2,5-diol is Oc1ccc(O)n1-c1cccc(F)c1.
What is the InChIKey of 1-(3-fluorophenyl)pyrrole-2,5-diol?
The InChIKey is VEAVAKFIPVJQKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8FNO2/c11-7-2-1-3-8(6-7)12-9(13)4-5-10(12)14/h1-6,13-14H.
What are the key properties of 1-(3-fluorophenyl)pyrrole-2,5-diol?
1-(3-fluorophenyl)pyrrole-2,5-diol has a molecular weight of 193.18 g/mol, XLogP of 2.03, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)pyrrole-2,5-diol is sourced from PubChem (CID 123732146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).