3-[(E)-2-[2-(5-fluoro-2-hydroxyphenyl)-4-pyridinyl]ethenyl]-N'-hydroxybenzenecarboximidamide

C20H16FN3O2 — CID 155512092

IUPAC3-[(E)-2-[2-(5-fluoro-2-hydroxyphenyl)-4-pyridinyl]ethenyl]-N'-hydroxybenzenecarboximidamide
SMILESN/C(=N\O)c1cccc(/C=C/c2ccnc(-c3cc(F)ccc3O)c2)c1
InChIInChI=1S/C20H16FN3O2/c21-16-6-7-19(25)17(12-16)18-11-14(8-9-23-18)5-4-13-2-1-3-15(10-13)20(22)24-26/h1-12,25-26H,(H2,22,24)/b5-4+
InChIKeyAJXYGYQSEVLLRJ-SNAWJCMRSA-N
MW349.37 g/mol
LogP3.86
Rot. Bonds4

About 3-[(E)-2-[2-(5-fluoro-2-hydroxyphenyl)-4-pyridinyl]ethenyl]-N'-hydroxybenzenecarboximidamide

3-[(E)-2-[2-(5-fluoro-2-hydroxyphenyl)-4-pyridinyl]ethenyl]-N'-hydroxybenzenecarboximidamide (PubChem CID 155512092) has the molecular formula C20H16FN3O2 and a molecular weight of 349.37 g/mol. Its IUPAC name is 3-[(E)-2-[2-(5-fluoro-2-hydroxyphenyl)-4-pyridinyl]ethenyl]-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name3-[(E)-2-[2-(5-fluoro-2-hydroxyphenyl)-4-pyridinyl]ethenyl]-N'-hydroxybenzenecarboximidamide
PubChem CID155512092
Molecular FormulaC20H16FN3O2
Molecular Weight349.37 g/mol
Exact Mass349.12
IUPAC Name3-[(E)-2-[2-(5-fluoro-2-hydroxyphenyl)-4-pyridinyl]ethenyl]-N'-hydroxybenzenecarboximidamide
SMILESN/C(=N\O)c1cccc(/C=C/c2ccnc(-c3cc(F)ccc3O)c2)c1
InChIInChI=1S/C20H16FN3O2/c21-16-6-7-19(25)17(12-16)18-11-14(8-9-23-18)5-4-13-2-1-3-15(10-13)20(22)24-26/h1-12,25-26H,(H2,22,24)/b5-4+
InChIKeyAJXYGYQSEVLLRJ-SNAWJCMRSA-N
XLogP3.86
TPSA91.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.37
LogP ≤ 53.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', '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 3-[(E)-2-[2-(5-fluoro-2-hydroxyphenyl)-4-pyridinyl]ethenyl]-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 3-[(E)-2-[2-(5-fluoro-2-hydroxyphenyl)-4-pyridinyl]ethenyl]-N'-hydroxybenzenecarboximidamide (CID 155512092) is 3-[(E)-2-[2-(5-fluoro-2-hydroxyphenyl)-4-pyridinyl]ethenyl]-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 3-[(E)-2-[2-(5-fluoro-2-hydroxyphenyl)-4-pyridinyl]ethenyl]-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 3-[(E)-2-[2-(5-fluoro-2-hydroxyphenyl)-4-pyridinyl]ethenyl]-N'-hydroxybenzenecarboximidamide is N/C(=N\O)c1cccc(/C=C/c2ccnc(-c3cc(F)ccc3O)c2)c1.
What is the InChIKey of 3-[(E)-2-[2-(5-fluoro-2-hydroxyphenyl)-4-pyridinyl]ethenyl]-N'-hydroxybenzenecarboximidamide?
The InChIKey is AJXYGYQSEVLLRJ-SNAWJCMRSA-N. The full InChI is InChI=1S/C20H16FN3O2/c21-16-6-7-19(25)17(12-16)18-11-14(8-9-23-18)5-4-13-2-1-3-15(10-13)20(22)24-26/h1-12,25-26H,(H2,22,24)/b5-4+.
What are the key properties of 3-[(E)-2-[2-(5-fluoro-2-hydroxyphenyl)-4-pyridinyl]ethenyl]-N'-hydroxybenzenecarboximidamide?
3-[(E)-2-[2-(5-fluoro-2-hydroxyphenyl)-4-pyridinyl]ethenyl]-N'-hydroxybenzenecarboximidamide has a molecular weight of 349.37 g/mol, XLogP of 3.86, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-2-[2-(5-fluoro-2-hydroxyphenyl)-4-pyridinyl]ethenyl]-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 155512092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).