1-(4-amino-2-fluorophenyl)pyrrole-2,5-diol

C10H9FN2O2 — CID 90950667

IUPAC1-(4-amino-2-fluorophenyl)pyrrole-2,5-diol
SMILESNc1ccc(-n2c(O)ccc2O)c(F)c1
InChIInChI=1S/C10H9FN2O2/c11-7-5-6(12)1-2-8(7)13-9(14)3-4-10(13)15/h1-5,14-15H,12H2
InChIKeyCMRMAIGHWGOBCS-UHFFFAOYSA-N
MW208.19 g/mol
LogP1.61
Rot. Bonds1

About 1-(4-amino-2-fluorophenyl)pyrrole-2,5-diol

1-(4-amino-2-fluorophenyl)pyrrole-2,5-diol (PubChem CID 90950667) has the molecular formula C10H9FN2O2 and a molecular weight of 208.19 g/mol. Its IUPAC name is 1-(4-amino-2-fluorophenyl)pyrrole-2,5-diol.

Molecular Properties

Compound Name1-(4-amino-2-fluorophenyl)pyrrole-2,5-diol
PubChem CID90950667
Molecular FormulaC10H9FN2O2
Molecular Weight208.19 g/mol
Exact Mass208.06
IUPAC Name1-(4-amino-2-fluorophenyl)pyrrole-2,5-diol
SMILESNc1ccc(-n2c(O)ccc2O)c(F)c1
InChIInChI=1S/C10H9FN2O2/c11-7-5-6(12)1-2-8(7)13-9(14)3-4-10(13)15/h1-5,14-15H,12H2
InChIKeyCMRMAIGHWGOBCS-UHFFFAOYSA-N
XLogP1.61
TPSA71.41 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.19
LogP ≤ 51.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-2-fluorophenyl)pyrrole-2,5-diol?
The IUPAC name of 1-(4-amino-2-fluorophenyl)pyrrole-2,5-diol (CID 90950667) is 1-(4-amino-2-fluorophenyl)pyrrole-2,5-diol.
What is the SMILES notation for 1-(4-amino-2-fluorophenyl)pyrrole-2,5-diol?
The canonical SMILES for 1-(4-amino-2-fluorophenyl)pyrrole-2,5-diol is Nc1ccc(-n2c(O)ccc2O)c(F)c1.
What is the InChIKey of 1-(4-amino-2-fluorophenyl)pyrrole-2,5-diol?
The InChIKey is CMRMAIGHWGOBCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN2O2/c11-7-5-6(12)1-2-8(7)13-9(14)3-4-10(13)15/h1-5,14-15H,12H2.
What are the key properties of 1-(4-amino-2-fluorophenyl)pyrrole-2,5-diol?
1-(4-amino-2-fluorophenyl)pyrrole-2,5-diol has a molecular weight of 208.19 g/mol, XLogP of 1.61, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-2-fluorophenyl)pyrrole-2,5-diol is sourced from PubChem (CID 90950667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).