N'-[(2,6-dichlorophenyl)methoxy]pyridine-2-carboximidamide

C13H11Cl2N3O — CID 3562027

IUPACN'-[(2,6-dichlorophenyl)methoxy]pyridine-2-carboximidamide
SMILESNC(=NOCc1c(Cl)cccc1Cl)c1ccccn1
InChIInChI=1S/C13H11Cl2N3O/c14-10-4-3-5-11(15)9(10)8-19-18-13(16)12-6-1-2-7-17-12/h1-7H,8H2,(H2,16,18)
InChIKeyNHODROUMNDBPDW-UHFFFAOYSA-N
MW296.16 g/mol
LogP3.23
Rot. Bonds4

About N'-[(2,6-dichlorophenyl)methoxy]pyridine-2-carboximidamide

N'-[(2,6-dichlorophenyl)methoxy]pyridine-2-carboximidamide (PubChem CID 3562027) has the molecular formula C13H11Cl2N3O and a molecular weight of 296.16 g/mol. Its IUPAC name is N'-[(2,6-dichlorophenyl)methoxy]pyridine-2-carboximidamide.

Molecular Properties

Compound NameN'-[(2,6-dichlorophenyl)methoxy]pyridine-2-carboximidamide
PubChem CID3562027
Molecular FormulaC13H11Cl2N3O
Molecular Weight296.16 g/mol
Exact Mass295.03
IUPAC NameN'-[(2,6-dichlorophenyl)methoxy]pyridine-2-carboximidamide
SMILESNC(=NOCc1c(Cl)cccc1Cl)c1ccccn1
InChIInChI=1S/C13H11Cl2N3O/c14-10-4-3-5-11(15)9(10)8-19-18-13(16)12-6-1-2-7-17-12/h1-7H,8H2,(H2,16,18)
InChIKeyNHODROUMNDBPDW-UHFFFAOYSA-N
XLogP3.23
TPSA60.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.16
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

N'-[(2,6-dichlorophenyl)methoxy]-2-phenoxyethanimidamide
CID 51110503
[(Z)-[amino(pyridin-2-yl)methylidene]amino] 2-chloroacetate
CID 88937741
N'-trimethylsilyloxypyridine-2-carboximidamide
CID 91699371
N'-aminopyridine-2-carboximidamide
CID 5464234
[(Z)-[amino(pyridin-2-yl)methylidene]amino] cyclopropanecarboxylate
CID 5349701
N'-[(2-chloro-6-fluorophenyl)methoxy]-3-(pyridin-3-ylmethoxy)benzenecarboximidamide
CID 75264625
ethyl (2E)-2-(2-amino-1,3-thiazol-4-yl)-2-[(2,6-dichlorophenyl)methoxyimino]acetate
CID 86742870
ethane;N'-methylpyridine-2-carboximidamide
CID 143309787
(Z)-1-phenyl-N-phenylmethoxy-1-pyridin-2-ylmethanimine
CID 87293171
N'-(2,6-dichlorophenyl)pyridine-2-carbohydrazide
CID 127034375
N'-(4-hydroxyphenyl)pyridine-2-carboximidamide
CID 136600312
N'-(pyridin-2-ylmethyl)pyridine-2-carboximidamide
CID 528154

Frequently Asked Questions

What is the IUPAC name of N'-[(2,6-dichlorophenyl)methoxy]pyridine-2-carboximidamide?
The IUPAC name of N'-[(2,6-dichlorophenyl)methoxy]pyridine-2-carboximidamide (CID 3562027) is N'-[(2,6-dichlorophenyl)methoxy]pyridine-2-carboximidamide.
What is the SMILES notation for N'-[(2,6-dichlorophenyl)methoxy]pyridine-2-carboximidamide?
The canonical SMILES for N'-[(2,6-dichlorophenyl)methoxy]pyridine-2-carboximidamide is NC(=NOCc1c(Cl)cccc1Cl)c1ccccn1.
What is the InChIKey of N'-[(2,6-dichlorophenyl)methoxy]pyridine-2-carboximidamide?
The InChIKey is NHODROUMNDBPDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl2N3O/c14-10-4-3-5-11(15)9(10)8-19-18-13(16)12-6-1-2-7-17-12/h1-7H,8H2,(H2,16,18).
What are the key properties of N'-[(2,6-dichlorophenyl)methoxy]pyridine-2-carboximidamide?
N'-[(2,6-dichlorophenyl)methoxy]pyridine-2-carboximidamide has a molecular weight of 296.16 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2,6-dichlorophenyl)methoxy]pyridine-2-carboximidamide is sourced from PubChem (CID 3562027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).