2-(5-fluoro-2-methoxy-3-pyridinyl)-N'-hydroxy-3-(4-hydroxyphenyl)-5-methylbenzenecarboximidamide

C20H18FN3O3 — CID 89401294

IUPAC2-(5-fluoro-2-methoxy-3-pyridinyl)-N'-hydroxy-3-(4-hydroxyphenyl)-5-methylbenzenecarboximidamide
SMILESCOc1ncc(F)cc1-c1c(/C(N)=N/O)cc(C)cc1-c1ccc(O)cc1
InChIInChI=1S/C20H18FN3O3/c1-11-7-15(12-3-5-14(25)6-4-12)18(16(8-11)19(22)24-26)17-9-13(21)10-23-20(17)27-2/h3-10,25-26H,1-2H3,(H2,22,24)
InChIKeyLBLIJMKIAPJMFZ-UHFFFAOYSA-N
MW367.38 g/mol
LogP3.67
Rot. Bonds4

About 2-(5-fluoro-2-methoxy-3-pyridinyl)-N'-hydroxy-3-(4-hydroxyphenyl)-5-methylbenzenecarboximidamide

2-(5-fluoro-2-methoxy-3-pyridinyl)-N'-hydroxy-3-(4-hydroxyphenyl)-5-methylbenzenecarboximidamide (PubChem CID 89401294) has the molecular formula C20H18FN3O3 and a molecular weight of 367.38 g/mol. Its IUPAC name is 2-(5-fluoro-2-methoxy-3-pyridinyl)-N'-hydroxy-3-(4-hydroxyphenyl)-5-methylbenzenecarboximidamide.

Molecular Properties

Compound Name2-(5-fluoro-2-methoxy-3-pyridinyl)-N'-hydroxy-3-(4-hydroxyphenyl)-5-methylbenzenecarboximidamide
PubChem CID89401294
Molecular FormulaC20H18FN3O3
Molecular Weight367.38 g/mol
Exact Mass367.13
IUPAC Name2-(5-fluoro-2-methoxy-3-pyridinyl)-N'-hydroxy-3-(4-hydroxyphenyl)-5-methylbenzenecarboximidamide
SMILESCOc1ncc(F)cc1-c1c(/C(N)=N/O)cc(C)cc1-c1ccc(O)cc1
InChIInChI=1S/C20H18FN3O3/c1-11-7-15(12-3-5-14(25)6-4-12)18(16(8-11)19(22)24-26)17-9-13(21)10-23-20(17)27-2/h3-10,25-26H,1-2H3,(H2,22,24)
InChIKeyLBLIJMKIAPJMFZ-UHFFFAOYSA-N
XLogP3.67
TPSA100.96 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.38
LogP ≤ 53.67
H-Bond Donors ≤ 53
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': '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 2-(5-fluoro-2-methoxy-3-pyridinyl)-N'-hydroxy-3-(4-hydroxyphenyl)-5-methylbenzenecarboximidamide?
The IUPAC name of 2-(5-fluoro-2-methoxy-3-pyridinyl)-N'-hydroxy-3-(4-hydroxyphenyl)-5-methylbenzenecarboximidamide (CID 89401294) is 2-(5-fluoro-2-methoxy-3-pyridinyl)-N'-hydroxy-3-(4-hydroxyphenyl)-5-methylbenzenecarboximidamide.
What is the SMILES notation for 2-(5-fluoro-2-methoxy-3-pyridinyl)-N'-hydroxy-3-(4-hydroxyphenyl)-5-methylbenzenecarboximidamide?
The canonical SMILES for 2-(5-fluoro-2-methoxy-3-pyridinyl)-N'-hydroxy-3-(4-hydroxyphenyl)-5-methylbenzenecarboximidamide is COc1ncc(F)cc1-c1c(/C(N)=N/O)cc(C)cc1-c1ccc(O)cc1.
What is the InChIKey of 2-(5-fluoro-2-methoxy-3-pyridinyl)-N'-hydroxy-3-(4-hydroxyphenyl)-5-methylbenzenecarboximidamide?
The InChIKey is LBLIJMKIAPJMFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3O3/c1-11-7-15(12-3-5-14(25)6-4-12)18(16(8-11)19(22)24-26)17-9-13(21)10-23-20(17)27-2/h3-10,25-26H,1-2H3,(H2,22,24).
What are the key properties of 2-(5-fluoro-2-methoxy-3-pyridinyl)-N'-hydroxy-3-(4-hydroxyphenyl)-5-methylbenzenecarboximidamide?
2-(5-fluoro-2-methoxy-3-pyridinyl)-N'-hydroxy-3-(4-hydroxyphenyl)-5-methylbenzenecarboximidamide has a molecular weight of 367.38 g/mol, XLogP of 3.67, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-2-methoxy-3-pyridinyl)-N'-hydroxy-3-(4-hydroxyphenyl)-5-methylbenzenecarboximidamide is sourced from PubChem (CID 89401294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).