4-amino-2-fluoro-3-phenyl-3H-pyrrol-5-ol

C10H9FN2O — CID 163552795

IUPAC4-amino-2-fluoro-3-phenyl-3H-pyrrol-5-ol
SMILESNC1=C(O)N=C(F)C1c1ccccc1
InChIInChI=1S/C10H9FN2O/c11-9-7(8(12)10(14)13-9)6-4-2-1-3-5-6/h1-5,7,14H,12H2
InChIKeyFKLQIESRUIAIGF-UHFFFAOYSA-N
MW192.19 g/mol
LogP1.84
Rot. Bonds1

About 4-amino-2-fluoro-3-phenyl-3H-pyrrol-5-ol

4-amino-2-fluoro-3-phenyl-3H-pyrrol-5-ol (PubChem CID 163552795) has the molecular formula C10H9FN2O and a molecular weight of 192.19 g/mol. Its IUPAC name is 4-amino-2-fluoro-3-phenyl-3H-pyrrol-5-ol.

Molecular Properties

Compound Name4-amino-2-fluoro-3-phenyl-3H-pyrrol-5-ol
PubChem CID163552795
Molecular FormulaC10H9FN2O
Molecular Weight192.19 g/mol
Exact Mass192.07
IUPAC Name4-amino-2-fluoro-3-phenyl-3H-pyrrol-5-ol
SMILESNC1=C(O)N=C(F)C1c1ccccc1
InChIInChI=1S/C10H9FN2O/c11-9-7(8(12)10(14)13-9)6-4-2-1-3-5-6/h1-5,7,14H,12H2
InChIKeyFKLQIESRUIAIGF-UHFFFAOYSA-N
XLogP1.84
TPSA58.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.19
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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(2S)-5-amino-3-hydroxy-2-phenyl-2H-pyrrole-4-carboxamide
CID 136803709
9-phenyl-9H-fluoren-2-ol
CID 69029372
(5R)-2-methylsulfanyl-5-phenyl-1H-pyrimidine-4,6-dione
CID 129385795
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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-fluoro-3-phenyl-3H-pyrrol-5-ol?
The IUPAC name of 4-amino-2-fluoro-3-phenyl-3H-pyrrol-5-ol (CID 163552795) is 4-amino-2-fluoro-3-phenyl-3H-pyrrol-5-ol.
What is the SMILES notation for 4-amino-2-fluoro-3-phenyl-3H-pyrrol-5-ol?
The canonical SMILES for 4-amino-2-fluoro-3-phenyl-3H-pyrrol-5-ol is NC1=C(O)N=C(F)C1c1ccccc1.
What is the InChIKey of 4-amino-2-fluoro-3-phenyl-3H-pyrrol-5-ol?
The InChIKey is FKLQIESRUIAIGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN2O/c11-9-7(8(12)10(14)13-9)6-4-2-1-3-5-6/h1-5,7,14H,12H2.
What are the key properties of 4-amino-2-fluoro-3-phenyl-3H-pyrrol-5-ol?
4-amino-2-fluoro-3-phenyl-3H-pyrrol-5-ol has a molecular weight of 192.19 g/mol, XLogP of 1.84, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-fluoro-3-phenyl-3H-pyrrol-5-ol is sourced from PubChem (CID 163552795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).