3-[[3,5-difluoro-6-(3-hydroxyphenoxy)-4-methyl-2-pyridinyl]oxy]benzenecarboximidamide

C19H15F2N3O3 — CID 11760447

IUPAC3-[[3,5-difluoro-6-(3-hydroxyphenoxy)-4-methyl-2-pyridinyl]oxy]benzenecarboximidamide
SMILES[H]/N=C(\N)c1cccc(Oc2nc(Oc3cccc(O)c3)c(F)c(C)c2F)c1
InChIInChI=1S/C19H15F2N3O3/c1-10-15(20)18(26-13-6-2-4-11(8-13)17(22)23)24-19(16(10)21)27-14-7-3-5-12(25)9-14/h2-9,25H,1H3,(H3,22,23)
InChIKeyGGQDWVMIRHYMNR-UHFFFAOYSA-N
MW371.34 g/mol
LogP4.24
Rot. Bonds5

About 3-[[3,5-difluoro-6-(3-hydroxyphenoxy)-4-methyl-2-pyridinyl]oxy]benzenecarboximidamide

3-[[3,5-difluoro-6-(3-hydroxyphenoxy)-4-methyl-2-pyridinyl]oxy]benzenecarboximidamide (PubChem CID 11760447) has the molecular formula C19H15F2N3O3 and a molecular weight of 371.34 g/mol. Its IUPAC name is 3-[[3,5-difluoro-6-(3-hydroxyphenoxy)-4-methyl-2-pyridinyl]oxy]benzenecarboximidamide.

Molecular Properties

Compound Name3-[[3,5-difluoro-6-(3-hydroxyphenoxy)-4-methyl-2-pyridinyl]oxy]benzenecarboximidamide
PubChem CID11760447
Molecular FormulaC19H15F2N3O3
Molecular Weight371.34 g/mol
Exact Mass371.11
IUPAC Name3-[[3,5-difluoro-6-(3-hydroxyphenoxy)-4-methyl-2-pyridinyl]oxy]benzenecarboximidamide
SMILES[H]/N=C(\N)c1cccc(Oc2nc(Oc3cccc(O)c3)c(F)c(C)c2F)c1
InChIInChI=1S/C19H15F2N3O3/c1-10-15(20)18(26-13-6-2-4-11(8-13)17(22)23)24-19(16(10)21)27-14-7-3-5-12(25)9-14/h2-9,25H,1H3,(H3,22,23)
InChIKeyGGQDWVMIRHYMNR-UHFFFAOYSA-N
XLogP4.24
TPSA101.45 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.34
LogP ≤ 54.24
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'}

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Frequently Asked Questions

What is the IUPAC name of 3-[[3,5-difluoro-6-(3-hydroxyphenoxy)-4-methyl-2-pyridinyl]oxy]benzenecarboximidamide?
The IUPAC name of 3-[[3,5-difluoro-6-(3-hydroxyphenoxy)-4-methyl-2-pyridinyl]oxy]benzenecarboximidamide (CID 11760447) is 3-[[3,5-difluoro-6-(3-hydroxyphenoxy)-4-methyl-2-pyridinyl]oxy]benzenecarboximidamide.
What is the SMILES notation for 3-[[3,5-difluoro-6-(3-hydroxyphenoxy)-4-methyl-2-pyridinyl]oxy]benzenecarboximidamide?
The canonical SMILES for 3-[[3,5-difluoro-6-(3-hydroxyphenoxy)-4-methyl-2-pyridinyl]oxy]benzenecarboximidamide is [H]/N=C(\N)c1cccc(Oc2nc(Oc3cccc(O)c3)c(F)c(C)c2F)c1.
What is the InChIKey of 3-[[3,5-difluoro-6-(3-hydroxyphenoxy)-4-methyl-2-pyridinyl]oxy]benzenecarboximidamide?
The InChIKey is GGQDWVMIRHYMNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F2N3O3/c1-10-15(20)18(26-13-6-2-4-11(8-13)17(22)23)24-19(16(10)21)27-14-7-3-5-12(25)9-14/h2-9,25H,1H3,(H3,22,23).
What are the key properties of 3-[[3,5-difluoro-6-(3-hydroxyphenoxy)-4-methyl-2-pyridinyl]oxy]benzenecarboximidamide?
3-[[3,5-difluoro-6-(3-hydroxyphenoxy)-4-methyl-2-pyridinyl]oxy]benzenecarboximidamide has a molecular weight of 371.34 g/mol, XLogP of 4.24, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3,5-difluoro-6-(3-hydroxyphenoxy)-4-methyl-2-pyridinyl]oxy]benzenecarboximidamide is sourced from PubChem (CID 11760447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).