1-[3-[6-(2-fluorophenyl)-3-pyridinyl]propyl]pyrrole-2,5-diol

C18H17FN2O2 — CID 90749412

IUPAC1-[3-[6-(2-fluorophenyl)-3-pyridinyl]propyl]pyrrole-2,5-diol
SMILESOc1ccc(O)n1CCCc1ccc(-c2ccccc2F)nc1
InChIInChI=1S/C18H17FN2O2/c19-15-6-2-1-5-14(15)16-8-7-13(12-20-16)4-3-11-21-17(22)9-10-18(21)23/h1-2,5-10,12,22-23H,3-4,11H2
InChIKeyODIRUSRMAGLGKW-UHFFFAOYSA-N
MW312.34 g/mol
LogP3.73
Rot. Bonds5

About 1-[3-[6-(2-fluorophenyl)-3-pyridinyl]propyl]pyrrole-2,5-diol

1-[3-[6-(2-fluorophenyl)-3-pyridinyl]propyl]pyrrole-2,5-diol (PubChem CID 90749412) has the molecular formula C18H17FN2O2 and a molecular weight of 312.34 g/mol. Its IUPAC name is 1-[3-[6-(2-fluorophenyl)-3-pyridinyl]propyl]pyrrole-2,5-diol.

Molecular Properties

Compound Name1-[3-[6-(2-fluorophenyl)-3-pyridinyl]propyl]pyrrole-2,5-diol
PubChem CID90749412
Molecular FormulaC18H17FN2O2
Molecular Weight312.34 g/mol
Exact Mass312.13
IUPAC Name1-[3-[6-(2-fluorophenyl)-3-pyridinyl]propyl]pyrrole-2,5-diol
SMILESOc1ccc(O)n1CCCc1ccc(-c2ccccc2F)nc1
InChIInChI=1S/C18H17FN2O2/c19-15-6-2-1-5-14(15)16-8-7-13(12-20-16)4-3-11-21-17(22)9-10-18(21)23/h1-2,5-10,12,22-23H,3-4,11H2
InChIKeyODIRUSRMAGLGKW-UHFFFAOYSA-N
XLogP3.73
TPSA58.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.34
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[3-[6-(2-fluorophenyl)-3-pyridinyl]propyl]pyrrole-2,5-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[3-[6-(2-fluorophenyl)-3-pyridinyl]propyl]pyrrole-2,5-diol?
The IUPAC name of 1-[3-[6-(2-fluorophenyl)-3-pyridinyl]propyl]pyrrole-2,5-diol (CID 90749412) is 1-[3-[6-(2-fluorophenyl)-3-pyridinyl]propyl]pyrrole-2,5-diol.
What is the SMILES notation for 1-[3-[6-(2-fluorophenyl)-3-pyridinyl]propyl]pyrrole-2,5-diol?
The canonical SMILES for 1-[3-[6-(2-fluorophenyl)-3-pyridinyl]propyl]pyrrole-2,5-diol is Oc1ccc(O)n1CCCc1ccc(-c2ccccc2F)nc1.
What is the InChIKey of 1-[3-[6-(2-fluorophenyl)-3-pyridinyl]propyl]pyrrole-2,5-diol?
The InChIKey is ODIRUSRMAGLGKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O2/c19-15-6-2-1-5-14(15)16-8-7-13(12-20-16)4-3-11-21-17(22)9-10-18(21)23/h1-2,5-10,12,22-23H,3-4,11H2.
What are the key properties of 1-[3-[6-(2-fluorophenyl)-3-pyridinyl]propyl]pyrrole-2,5-diol?
1-[3-[6-(2-fluorophenyl)-3-pyridinyl]propyl]pyrrole-2,5-diol has a molecular weight of 312.34 g/mol, XLogP of 3.73, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[6-(2-fluorophenyl)-3-pyridinyl]propyl]pyrrole-2,5-diol is sourced from PubChem (CID 90749412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).