N'-[(2-fluorophenyl)methyl]-N-hydroxy-6-(2,3,5,6-tetrafluorophenoxy)pyridine-3-carboximidamide

C19H12F5N3O2 — CID 56682591

IUPACN'-[(2-fluorophenyl)methyl]-N-hydroxy-6-(2,3,5,6-tetrafluorophenoxy)pyridine-3-carboximidamide
SMILESON/C(=N\Cc1ccccc1F)c1ccc(Oc2c(F)c(F)cc(F)c2F)nc1
InChIInChI=1S/C19H12F5N3O2/c20-12-4-2-1-3-10(12)8-26-19(27-28)11-5-6-15(25-9-11)29-18-16(23)13(21)7-14(22)17(18)24/h1-7,9,28H,8H2,(H,26,27)
InChIKeyIGPSLUSRTQUHHQ-UHFFFAOYSA-N
MW409.31 g/mol
LogP4.49
Rot. Bonds5

About N'-[(2-fluorophenyl)methyl]-N-hydroxy-6-(2,3,5,6-tetrafluorophenoxy)pyridine-3-carboximidamide

N'-[(2-fluorophenyl)methyl]-N-hydroxy-6-(2,3,5,6-tetrafluorophenoxy)pyridine-3-carboximidamide (PubChem CID 56682591) has the molecular formula C19H12F5N3O2 and a molecular weight of 409.31 g/mol. Its IUPAC name is N'-[(2-fluorophenyl)methyl]-N-hydroxy-6-(2,3,5,6-tetrafluorophenoxy)pyridine-3-carboximidamide.

Molecular Properties

Compound NameN'-[(2-fluorophenyl)methyl]-N-hydroxy-6-(2,3,5,6-tetrafluorophenoxy)pyridine-3-carboximidamide
PubChem CID56682591
Molecular FormulaC19H12F5N3O2
Molecular Weight409.31 g/mol
Exact Mass409.08
IUPAC NameN'-[(2-fluorophenyl)methyl]-N-hydroxy-6-(2,3,5,6-tetrafluorophenoxy)pyridine-3-carboximidamide
SMILESON/C(=N\Cc1ccccc1F)c1ccc(Oc2c(F)c(F)cc(F)c2F)nc1
InChIInChI=1S/C19H12F5N3O2/c20-12-4-2-1-3-10(12)8-26-19(27-28)11-5-6-15(25-9-11)29-18-16(23)13(21)7-14(22)17(18)24/h1-7,9,28H,8H2,(H,26,27)
InChIKeyIGPSLUSRTQUHHQ-UHFFFAOYSA-N
XLogP4.49
TPSA66.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.31
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'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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Related Compounds

N-hydroxy-N'-(pyridin-4-ylmethyl)-6-(2,3,5,6-tetrafluorophenoxy)pyridine-3-carboximidamide
CID 56668982
N-hydroxy-N'-(oxolan-2-ylmethyl)-6-(2,3,5,6-tetrafluorophenoxy)pyridine-3-carboximidamide
CID 56672713
6-(3,5-dimethylphenoxy)-N'-[(2-ethoxyphenyl)methyl]-N-hydroxypyridine-3-carboximidamide
CID 56669236
6-dibenzofuran-2-yloxy-N-hydroxy-N'-[(5-methylfuran-2-yl)methyl]pyridine-3-carboximidamide
CID 56665436
N-hydroxy-6-(3-methoxyphenoxy)-N'-[(4-methoxyphenyl)methyl]pyridine-3-carboximidamide
CID 56682818
(NZ)-N-[(2,5-dimethylpyrrolidin-1-yl)-[6-(2,3,5,6-tetrafluorophenoxy)-3-pyridinyl]methylidene]hydroxylamine
CID 56672584
N-hydroxy-N'-[(4-methoxyphenyl)methyl]-6-(3-methyl-5-propan-2-ylphenoxy)pyridine-3-carboximidamide
CID 56678921
6-fluoro-N-[2-(2-fluorophenyl)ethyl]pyridine-3-carboxamide
CID 63973138
2-[(2-fluorophenyl)methoxy]-N-hydroxy-N'-[(2-methoxyphenyl)methyl]-6-methylpyridine-3-carboximidamide
CID 56672502
N-[2-(2-fluorophenyl)ethyl]-6-(methylamino)pyridine-3-carboxamide
CID 62171019
4-(2,3,5,6-tetrafluorophenoxy)pyrimidine
CID 131735128
(2-fluorophenyl)methyl 6-fluoropyridine-3-carboxylate
CID 113236225

Frequently Asked Questions

What is the IUPAC name of N'-[(2-fluorophenyl)methyl]-N-hydroxy-6-(2,3,5,6-tetrafluorophenoxy)pyridine-3-carboximidamide?
The IUPAC name of N'-[(2-fluorophenyl)methyl]-N-hydroxy-6-(2,3,5,6-tetrafluorophenoxy)pyridine-3-carboximidamide (CID 56682591) is N'-[(2-fluorophenyl)methyl]-N-hydroxy-6-(2,3,5,6-tetrafluorophenoxy)pyridine-3-carboximidamide.
What is the SMILES notation for N'-[(2-fluorophenyl)methyl]-N-hydroxy-6-(2,3,5,6-tetrafluorophenoxy)pyridine-3-carboximidamide?
The canonical SMILES for N'-[(2-fluorophenyl)methyl]-N-hydroxy-6-(2,3,5,6-tetrafluorophenoxy)pyridine-3-carboximidamide is ON/C(=N\Cc1ccccc1F)c1ccc(Oc2c(F)c(F)cc(F)c2F)nc1.
What is the InChIKey of N'-[(2-fluorophenyl)methyl]-N-hydroxy-6-(2,3,5,6-tetrafluorophenoxy)pyridine-3-carboximidamide?
The InChIKey is IGPSLUSRTQUHHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12F5N3O2/c20-12-4-2-1-3-10(12)8-26-19(27-28)11-5-6-15(25-9-11)29-18-16(23)13(21)7-14(22)17(18)24/h1-7,9,28H,8H2,(H,26,27).
What are the key properties of N'-[(2-fluorophenyl)methyl]-N-hydroxy-6-(2,3,5,6-tetrafluorophenoxy)pyridine-3-carboximidamide?
N'-[(2-fluorophenyl)methyl]-N-hydroxy-6-(2,3,5,6-tetrafluorophenoxy)pyridine-3-carboximidamide has a molecular weight of 409.31 g/mol, XLogP of 4.49, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2-fluorophenyl)methyl]-N-hydroxy-6-(2,3,5,6-tetrafluorophenoxy)pyridine-3-carboximidamide is sourced from PubChem (CID 56682591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).