2-(2,5-dichlorophenoxy)-N'-[(2,6-difluorophenyl)methyl]-N-hydroxy-6-methylpyridine-3-carboximidamide

C20H15Cl2F2N3O2 — CID 56671972

IUPAC2-(2,5-dichlorophenoxy)-N'-[(2,6-difluorophenyl)methyl]-N-hydroxy-6-methylpyridine-3-carboximidamide
SMILESCc1ccc(/C(=N/Cc2c(F)cccc2F)NO)c(Oc2cc(Cl)ccc2Cl)n1
InChIInChI=1S/C20H15Cl2F2N3O2/c1-11-5-7-13(20(26-11)29-18-9-12(21)6-8-15(18)22)19(27-28)25-10-14-16(23)3-2-4-17(14)24/h2-9,28H,10H2,1H3,(H,25,27)
InChIKeyDIXXIKYECVJBNA-UHFFFAOYSA-N
MW438.26 g/mol
LogP5.69
Rot. Bonds5

About 2-(2,5-dichlorophenoxy)-N'-[(2,6-difluorophenyl)methyl]-N-hydroxy-6-methylpyridine-3-carboximidamide

2-(2,5-dichlorophenoxy)-N'-[(2,6-difluorophenyl)methyl]-N-hydroxy-6-methylpyridine-3-carboximidamide (PubChem CID 56671972) has the molecular formula C20H15Cl2F2N3O2 and a molecular weight of 438.26 g/mol. Its IUPAC name is 2-(2,5-dichlorophenoxy)-N'-[(2,6-difluorophenyl)methyl]-N-hydroxy-6-methylpyridine-3-carboximidamide.

Molecular Properties

Compound Name2-(2,5-dichlorophenoxy)-N'-[(2,6-difluorophenyl)methyl]-N-hydroxy-6-methylpyridine-3-carboximidamide
PubChem CID56671972
Molecular FormulaC20H15Cl2F2N3O2
Molecular Weight438.26 g/mol
Exact Mass437.05
IUPAC Name2-(2,5-dichlorophenoxy)-N'-[(2,6-difluorophenyl)methyl]-N-hydroxy-6-methylpyridine-3-carboximidamide
SMILESCc1ccc(/C(=N/Cc2c(F)cccc2F)NO)c(Oc2cc(Cl)ccc2Cl)n1
InChIInChI=1S/C20H15Cl2F2N3O2/c1-11-5-7-13(20(26-11)29-18-9-12(21)6-8-15(18)22)19(27-28)25-10-14-16(23)3-2-4-17(14)24/h2-9,28H,10H2,1H3,(H,25,27)
InChIKeyDIXXIKYECVJBNA-UHFFFAOYSA-N
XLogP5.69
TPSA66.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.26
LogP ≤ 55.69
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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Related Compounds

2-(2,5-dichlorophenoxy)-N'-[(2-ethoxyphenyl)methyl]-N-hydroxy-6-methylpyridine-3-carboximidamide
CID 56682010
2-(3-chloro-4-fluorophenoxy)-N-hydroxy-N'-[(2-methoxyphenyl)methyl]-6-methylpyridine-3-carboximidamide
CID 56668592
N'-benzyl-N-hydroxy-6-methyl-2-(3-methylphenoxy)pyridine-3-carboximidamide
CID 56662107
2-[(2-fluorophenyl)methoxy]-N-hydroxy-N'-[(2-methoxyphenyl)methyl]-6-methylpyridine-3-carboximidamide
CID 56672502
2-(2,5-dichlorophenoxy)-6-methylpyridin-3-amine
CID 81132243
N-hydroxy-N'-[(2-methoxyphenyl)methyl]-6-methyl-2-(3-methyl-4-methylsulfanylphenoxy)pyridine-3-carboximidamide
CID 56682007
[2-(2,5-dichlorophenoxy)-4,6-dimethyl-3-pyridinyl]methanol
CID 61257315
N'-(cyclopropylmethyl)-N-hydroxy-6-methyl-2-naphthalen-2-yloxypyridine-3-carboximidamide
CID 56682339
2-(2-chloro-5-methylphenoxy)-N'-hydroxy-6-methylpyridine-3-carboximidamide
CID 76916295
N'-cyclopentyl-2-(3-fluorophenoxy)-N-hydroxy-6-methylpyridine-3-carboximidamide
CID 56665012
2-dibenzofuran-2-yloxy-N-hydroxy-6-methyl-N'-(thiophen-2-ylmethyl)pyridine-3-carboximidamide
CID 56679439
N-hydroxy-6-methyl-2-(4-methylphenoxy)-N'-phenylpyridine-3-carboximidamide
CID 56682573

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dichlorophenoxy)-N'-[(2,6-difluorophenyl)methyl]-N-hydroxy-6-methylpyridine-3-carboximidamide?
The IUPAC name of 2-(2,5-dichlorophenoxy)-N'-[(2,6-difluorophenyl)methyl]-N-hydroxy-6-methylpyridine-3-carboximidamide (CID 56671972) is 2-(2,5-dichlorophenoxy)-N'-[(2,6-difluorophenyl)methyl]-N-hydroxy-6-methylpyridine-3-carboximidamide.
What is the SMILES notation for 2-(2,5-dichlorophenoxy)-N'-[(2,6-difluorophenyl)methyl]-N-hydroxy-6-methylpyridine-3-carboximidamide?
The canonical SMILES for 2-(2,5-dichlorophenoxy)-N'-[(2,6-difluorophenyl)methyl]-N-hydroxy-6-methylpyridine-3-carboximidamide is Cc1ccc(/C(=N/Cc2c(F)cccc2F)NO)c(Oc2cc(Cl)ccc2Cl)n1.
What is the InChIKey of 2-(2,5-dichlorophenoxy)-N'-[(2,6-difluorophenyl)methyl]-N-hydroxy-6-methylpyridine-3-carboximidamide?
The InChIKey is DIXXIKYECVJBNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15Cl2F2N3O2/c1-11-5-7-13(20(26-11)29-18-9-12(21)6-8-15(18)22)19(27-28)25-10-14-16(23)3-2-4-17(14)24/h2-9,28H,10H2,1H3,(H,25,27).
What are the key properties of 2-(2,5-dichlorophenoxy)-N'-[(2,6-difluorophenyl)methyl]-N-hydroxy-6-methylpyridine-3-carboximidamide?
2-(2,5-dichlorophenoxy)-N'-[(2,6-difluorophenyl)methyl]-N-hydroxy-6-methylpyridine-3-carboximidamide has a molecular weight of 438.26 g/mol, XLogP of 5.69, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dichlorophenoxy)-N'-[(2,6-difluorophenyl)methyl]-N-hydroxy-6-methylpyridine-3-carboximidamide is sourced from PubChem (CID 56671972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).