2-[[1-(4-fluorophenyl)-2,5-dihydroxypyrrol-3-yl]amino]guanidine

C11H12FN5O2 — CID 91236423

IUPAC2-[[1-(4-fluorophenyl)-2,5-dihydroxypyrrol-3-yl]amino]guanidine
SMILESNC(N)=NNc1cc(O)n(-c2ccc(F)cc2)c1O
InChIInChI=1S/C11H12FN5O2/c12-6-1-3-7(4-2-6)17-9(18)5-8(10(17)19)15-16-11(13)14/h1-5,15,18-19H,(H4,13,14,16)
InChIKeyRKRVIUDYSWQNGX-UHFFFAOYSA-N
MW265.25 g/mol
LogP0.63
Rot. Bonds3

About 2-[[1-(4-fluorophenyl)-2,5-dihydroxypyrrol-3-yl]amino]guanidine

2-[[1-(4-fluorophenyl)-2,5-dihydroxypyrrol-3-yl]amino]guanidine (PubChem CID 91236423) has the molecular formula C11H12FN5O2 and a molecular weight of 265.25 g/mol. Its IUPAC name is 2-[[1-(4-fluorophenyl)-2,5-dihydroxypyrrol-3-yl]amino]guanidine.

Molecular Properties

Compound Name2-[[1-(4-fluorophenyl)-2,5-dihydroxypyrrol-3-yl]amino]guanidine
PubChem CID91236423
Molecular FormulaC11H12FN5O2
Molecular Weight265.25 g/mol
Exact Mass265.10
IUPAC Name2-[[1-(4-fluorophenyl)-2,5-dihydroxypyrrol-3-yl]amino]guanidine
SMILESNC(N)=NNc1cc(O)n(-c2ccc(F)cc2)c1O
InChIInChI=1S/C11H12FN5O2/c12-6-1-3-7(4-2-6)17-9(18)5-8(10(17)19)15-16-11(13)14/h1-5,15,18-19H,(H4,13,14,16)
InChIKeyRKRVIUDYSWQNGX-UHFFFAOYSA-N
XLogP0.63
TPSA121.82 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.25
LogP ≤ 50.63
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', '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 2-[[1-(4-fluorophenyl)-2,5-dihydroxypyrrol-3-yl]amino]guanidine?
The IUPAC name of 2-[[1-(4-fluorophenyl)-2,5-dihydroxypyrrol-3-yl]amino]guanidine (CID 91236423) is 2-[[1-(4-fluorophenyl)-2,5-dihydroxypyrrol-3-yl]amino]guanidine.
What is the SMILES notation for 2-[[1-(4-fluorophenyl)-2,5-dihydroxypyrrol-3-yl]amino]guanidine?
The canonical SMILES for 2-[[1-(4-fluorophenyl)-2,5-dihydroxypyrrol-3-yl]amino]guanidine is NC(N)=NNc1cc(O)n(-c2ccc(F)cc2)c1O.
What is the InChIKey of 2-[[1-(4-fluorophenyl)-2,5-dihydroxypyrrol-3-yl]amino]guanidine?
The InChIKey is RKRVIUDYSWQNGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN5O2/c12-6-1-3-7(4-2-6)17-9(18)5-8(10(17)19)15-16-11(13)14/h1-5,15,18-19H,(H4,13,14,16).
What are the key properties of 2-[[1-(4-fluorophenyl)-2,5-dihydroxypyrrol-3-yl]amino]guanidine?
2-[[1-(4-fluorophenyl)-2,5-dihydroxypyrrol-3-yl]amino]guanidine has a molecular weight of 265.25 g/mol, XLogP of 0.63, 3 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(4-fluorophenyl)-2,5-dihydroxypyrrol-3-yl]amino]guanidine is sourced from PubChem (CID 91236423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).