4-fluoro-1-(3-imidazol-1-ylpropyl)-5-methylpyrrole-2,3-diol

C11H14FN3O2 — CID 91387640

IUPAC4-fluoro-1-(3-imidazol-1-ylpropyl)-5-methylpyrrole-2,3-diol
SMILESCc1c(F)c(O)c(O)n1CCCn1ccnc1
InChIInChI=1S/C11H14FN3O2/c1-8-9(12)10(16)11(17)15(8)5-2-4-14-6-3-13-7-14/h3,6-7,16-17H,2,4-5H2,1H3
InChIKeyFOFFNOXKQBFYCN-UHFFFAOYSA-N
MW239.25 g/mol
LogP1.63
Rot. Bonds4

About 4-fluoro-1-(3-imidazol-1-ylpropyl)-5-methylpyrrole-2,3-diol

4-fluoro-1-(3-imidazol-1-ylpropyl)-5-methylpyrrole-2,3-diol (PubChem CID 91387640) has the molecular formula C11H14FN3O2 and a molecular weight of 239.25 g/mol. Its IUPAC name is 4-fluoro-1-(3-imidazol-1-ylpropyl)-5-methylpyrrole-2,3-diol.

Molecular Properties

Compound Name4-fluoro-1-(3-imidazol-1-ylpropyl)-5-methylpyrrole-2,3-diol
PubChem CID91387640
Molecular FormulaC11H14FN3O2
Molecular Weight239.25 g/mol
Exact Mass239.11
IUPAC Name4-fluoro-1-(3-imidazol-1-ylpropyl)-5-methylpyrrole-2,3-diol
SMILESCc1c(F)c(O)c(O)n1CCCn1ccnc1
InChIInChI=1S/C11H14FN3O2/c1-8-9(12)10(16)11(17)15(8)5-2-4-14-6-3-13-7-14/h3,6-7,16-17H,2,4-5H2,1H3
InChIKeyFOFFNOXKQBFYCN-UHFFFAOYSA-N
XLogP1.63
TPSA63.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.25
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1-(3-imidazol-1-ylpropyl)-5-methylpyrrole-2,3-diol?
The IUPAC name of 4-fluoro-1-(3-imidazol-1-ylpropyl)-5-methylpyrrole-2,3-diol (CID 91387640) is 4-fluoro-1-(3-imidazol-1-ylpropyl)-5-methylpyrrole-2,3-diol.
What is the SMILES notation for 4-fluoro-1-(3-imidazol-1-ylpropyl)-5-methylpyrrole-2,3-diol?
The canonical SMILES for 4-fluoro-1-(3-imidazol-1-ylpropyl)-5-methylpyrrole-2,3-diol is Cc1c(F)c(O)c(O)n1CCCn1ccnc1.
What is the InChIKey of 4-fluoro-1-(3-imidazol-1-ylpropyl)-5-methylpyrrole-2,3-diol?
The InChIKey is FOFFNOXKQBFYCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN3O2/c1-8-9(12)10(16)11(17)15(8)5-2-4-14-6-3-13-7-14/h3,6-7,16-17H,2,4-5H2,1H3.
What are the key properties of 4-fluoro-1-(3-imidazol-1-ylpropyl)-5-methylpyrrole-2,3-diol?
4-fluoro-1-(3-imidazol-1-ylpropyl)-5-methylpyrrole-2,3-diol has a molecular weight of 239.25 g/mol, XLogP of 1.63, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1-(3-imidazol-1-ylpropyl)-5-methylpyrrole-2,3-diol is sourced from PubChem (CID 91387640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).