2-(2,6-difluorophenoxy)-N'-(3-fluorophenyl)-N-hydroxy-6-methylpyridine-3-carboximidamide

C19H14F3N3O2 — CID 44554798

IUPAC2-(2,6-difluorophenoxy)-N'-(3-fluorophenyl)-N-hydroxy-6-methylpyridine-3-carboximidamide
SMILESCc1ccc(/C(=N/c2cccc(F)c2)NO)c(Oc2c(F)cccc2F)n1
InChIInChI=1S/C19H14F3N3O2/c1-11-8-9-14(18(25-26)24-13-5-2-4-12(20)10-13)19(23-11)27-17-15(21)6-3-7-16(17)22/h2-10,26H,1H3,(H,24,25)
InChIKeyZHBKMUDIIWJHIE-UHFFFAOYSA-N
MW373.33 g/mol
LogP4.66
Rot. Bonds4

About 2-(2,6-difluorophenoxy)-N'-(3-fluorophenyl)-N-hydroxy-6-methylpyridine-3-carboximidamide

2-(2,6-difluorophenoxy)-N'-(3-fluorophenyl)-N-hydroxy-6-methylpyridine-3-carboximidamide (PubChem CID 44554798) has the molecular formula C19H14F3N3O2 and a molecular weight of 373.33 g/mol. Its IUPAC name is 2-(2,6-difluorophenoxy)-N'-(3-fluorophenyl)-N-hydroxy-6-methylpyridine-3-carboximidamide.

Molecular Properties

Compound Name2-(2,6-difluorophenoxy)-N'-(3-fluorophenyl)-N-hydroxy-6-methylpyridine-3-carboximidamide
PubChem CID44554798
Molecular FormulaC19H14F3N3O2
Molecular Weight373.33 g/mol
Exact Mass373.10
IUPAC Name2-(2,6-difluorophenoxy)-N'-(3-fluorophenyl)-N-hydroxy-6-methylpyridine-3-carboximidamide
SMILESCc1ccc(/C(=N/c2cccc(F)c2)NO)c(Oc2c(F)cccc2F)n1
InChIInChI=1S/C19H14F3N3O2/c1-11-8-9-14(18(25-26)24-13-5-2-4-12(20)10-13)19(23-11)27-17-15(21)6-3-7-16(17)22/h2-10,26H,1H3,(H,24,25)
InChIKeyZHBKMUDIIWJHIE-UHFFFAOYSA-N
XLogP4.66
TPSA66.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.33
LogP ≤ 54.66
H-Bond Donors ≤ 52
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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-difluorophenoxy)-N'-(3-fluorophenyl)-N-hydroxy-6-methylpyridine-3-carboximidamide?
The IUPAC name of 2-(2,6-difluorophenoxy)-N'-(3-fluorophenyl)-N-hydroxy-6-methylpyridine-3-carboximidamide (CID 44554798) is 2-(2,6-difluorophenoxy)-N'-(3-fluorophenyl)-N-hydroxy-6-methylpyridine-3-carboximidamide.
What is the SMILES notation for 2-(2,6-difluorophenoxy)-N'-(3-fluorophenyl)-N-hydroxy-6-methylpyridine-3-carboximidamide?
The canonical SMILES for 2-(2,6-difluorophenoxy)-N'-(3-fluorophenyl)-N-hydroxy-6-methylpyridine-3-carboximidamide is Cc1ccc(/C(=N/c2cccc(F)c2)NO)c(Oc2c(F)cccc2F)n1.
What is the InChIKey of 2-(2,6-difluorophenoxy)-N'-(3-fluorophenyl)-N-hydroxy-6-methylpyridine-3-carboximidamide?
The InChIKey is ZHBKMUDIIWJHIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F3N3O2/c1-11-8-9-14(18(25-26)24-13-5-2-4-12(20)10-13)19(23-11)27-17-15(21)6-3-7-16(17)22/h2-10,26H,1H3,(H,24,25).
What are the key properties of 2-(2,6-difluorophenoxy)-N'-(3-fluorophenyl)-N-hydroxy-6-methylpyridine-3-carboximidamide?
2-(2,6-difluorophenoxy)-N'-(3-fluorophenyl)-N-hydroxy-6-methylpyridine-3-carboximidamide has a molecular weight of 373.33 g/mol, XLogP of 4.66, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-difluorophenoxy)-N'-(3-fluorophenyl)-N-hydroxy-6-methylpyridine-3-carboximidamide is sourced from PubChem (CID 44554798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).