1-(3-fluorophenyl)-5-imino-4-phenyl-2H-pyrrol-3-ol

C16H13FN2O — CID 135451542

IUPAC1-(3-fluorophenyl)-5-imino-4-phenyl-2H-pyrrol-3-ol
SMILES[H]/N=C1/C(c2ccccc2)=C(O)CN1c1cccc(F)c1
InChIInChI=1S/C16H13FN2O/c17-12-7-4-8-13(9-12)19-10-14(20)15(16(19)18)11-5-2-1-3-6-11/h1-9,18,20H,10H2/b18-16-
InChIKeyQUNNHZWBKZXCFV-VLGSPTGOSA-N
MW268.29 g/mol
LogP3.59
Rot. Bonds2

About 1-(3-fluorophenyl)-5-imino-4-phenyl-2H-pyrrol-3-ol

1-(3-fluorophenyl)-5-imino-4-phenyl-2H-pyrrol-3-ol (PubChem CID 135451542) has the molecular formula C16H13FN2O and a molecular weight of 268.29 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-5-imino-4-phenyl-2H-pyrrol-3-ol.

Molecular Properties

Compound Name1-(3-fluorophenyl)-5-imino-4-phenyl-2H-pyrrol-3-ol
PubChem CID135451542
Molecular FormulaC16H13FN2O
Molecular Weight268.29 g/mol
Exact Mass268.10
IUPAC Name1-(3-fluorophenyl)-5-imino-4-phenyl-2H-pyrrol-3-ol
SMILES[H]/N=C1/C(c2ccccc2)=C(O)CN1c1cccc(F)c1
InChIInChI=1S/C16H13FN2O/c17-12-7-4-8-13(9-12)19-10-14(20)15(16(19)18)11-5-2-1-3-6-11/h1-9,18,20H,10H2/b18-16-
InChIKeyQUNNHZWBKZXCFV-VLGSPTGOSA-N
XLogP3.59
TPSA47.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.29
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-5-imino-4-phenyl-2H-pyrrol-3-ol?
The IUPAC name of 1-(3-fluorophenyl)-5-imino-4-phenyl-2H-pyrrol-3-ol (CID 135451542) is 1-(3-fluorophenyl)-5-imino-4-phenyl-2H-pyrrol-3-ol.
What is the SMILES notation for 1-(3-fluorophenyl)-5-imino-4-phenyl-2H-pyrrol-3-ol?
The canonical SMILES for 1-(3-fluorophenyl)-5-imino-4-phenyl-2H-pyrrol-3-ol is [H]/N=C1/C(c2ccccc2)=C(O)CN1c1cccc(F)c1.
What is the InChIKey of 1-(3-fluorophenyl)-5-imino-4-phenyl-2H-pyrrol-3-ol?
The InChIKey is QUNNHZWBKZXCFV-VLGSPTGOSA-N. The full InChI is InChI=1S/C16H13FN2O/c17-12-7-4-8-13(9-12)19-10-14(20)15(16(19)18)11-5-2-1-3-6-11/h1-9,18,20H,10H2/b18-16-.
What are the key properties of 1-(3-fluorophenyl)-5-imino-4-phenyl-2H-pyrrol-3-ol?
1-(3-fluorophenyl)-5-imino-4-phenyl-2H-pyrrol-3-ol has a molecular weight of 268.29 g/mol, XLogP of 3.59, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-5-imino-4-phenyl-2H-pyrrol-3-ol is sourced from PubChem (CID 135451542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).