1-(2-fluoro-4-nitrophenyl)pyrrole-2,5-diol

C10H7FN2O4 — CID 91170049

IUPAC1-(2-fluoro-4-nitrophenyl)pyrrole-2,5-diol
SMILESO=[N+]([O-])c1ccc(-n2c(O)ccc2O)c(F)c1
InChIInChI=1S/C10H7FN2O4/c11-7-5-6(13(16)17)1-2-8(7)12-9(14)3-4-10(12)15/h1-5,14-15H
InChIKeyYSJJBINWOKLMTN-UHFFFAOYSA-N
MW238.17 g/mol
LogP1.94
Rot. Bonds2

About 1-(2-fluoro-4-nitrophenyl)pyrrole-2,5-diol

1-(2-fluoro-4-nitrophenyl)pyrrole-2,5-diol (PubChem CID 91170049) has the molecular formula C10H7FN2O4 and a molecular weight of 238.17 g/mol. Its IUPAC name is 1-(2-fluoro-4-nitrophenyl)pyrrole-2,5-diol.

Molecular Properties

Compound Name1-(2-fluoro-4-nitrophenyl)pyrrole-2,5-diol
PubChem CID91170049
Molecular FormulaC10H7FN2O4
Molecular Weight238.17 g/mol
Exact Mass238.04
IUPAC Name1-(2-fluoro-4-nitrophenyl)pyrrole-2,5-diol
SMILESO=[N+]([O-])c1ccc(-n2c(O)ccc2O)c(F)c1
InChIInChI=1S/C10H7FN2O4/c11-7-5-6(13(16)17)1-2-8(7)12-9(14)3-4-10(12)15/h1-5,14-15H
InChIKeyYSJJBINWOKLMTN-UHFFFAOYSA-N
XLogP1.94
TPSA88.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.17
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-4-nitrophenyl)pyrrole-2,5-diol?
The IUPAC name of 1-(2-fluoro-4-nitrophenyl)pyrrole-2,5-diol (CID 91170049) is 1-(2-fluoro-4-nitrophenyl)pyrrole-2,5-diol.
What is the SMILES notation for 1-(2-fluoro-4-nitrophenyl)pyrrole-2,5-diol?
The canonical SMILES for 1-(2-fluoro-4-nitrophenyl)pyrrole-2,5-diol is O=[N+]([O-])c1ccc(-n2c(O)ccc2O)c(F)c1.
What is the InChIKey of 1-(2-fluoro-4-nitrophenyl)pyrrole-2,5-diol?
The InChIKey is YSJJBINWOKLMTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7FN2O4/c11-7-5-6(13(16)17)1-2-8(7)12-9(14)3-4-10(12)15/h1-5,14-15H.
What are the key properties of 1-(2-fluoro-4-nitrophenyl)pyrrole-2,5-diol?
1-(2-fluoro-4-nitrophenyl)pyrrole-2,5-diol has a molecular weight of 238.17 g/mol, XLogP of 1.94, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-4-nitrophenyl)pyrrole-2,5-diol is sourced from PubChem (CID 91170049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).