N'-[(2,4-dichlorophenyl)methoxy]pyridine-4-carboximidamide

C13H11Cl2N3O — CID 3838866

IUPACN'-[(2,4-dichlorophenyl)methoxy]pyridine-4-carboximidamide
SMILESNC(=NOCc1ccc(Cl)cc1Cl)c1ccncc1
InChIInChI=1S/C13H11Cl2N3O/c14-11-2-1-10(12(15)7-11)8-19-18-13(16)9-3-5-17-6-4-9/h1-7H,8H2,(H2,16,18)
InChIKeyFZVWJMNZHBZRCP-UHFFFAOYSA-N
MW296.16 g/mol
LogP3.23
Rot. Bonds4

About N'-[(2,4-dichlorophenyl)methoxy]pyridine-4-carboximidamide

N'-[(2,4-dichlorophenyl)methoxy]pyridine-4-carboximidamide (PubChem CID 3838866) has the molecular formula C13H11Cl2N3O and a molecular weight of 296.16 g/mol. Its IUPAC name is N'-[(2,4-dichlorophenyl)methoxy]pyridine-4-carboximidamide.

Molecular Properties

Compound NameN'-[(2,4-dichlorophenyl)methoxy]pyridine-4-carboximidamide
PubChem CID3838866
Molecular FormulaC13H11Cl2N3O
Molecular Weight296.16 g/mol
Exact Mass295.03
IUPAC NameN'-[(2,4-dichlorophenyl)methoxy]pyridine-4-carboximidamide
SMILESNC(=NOCc1ccc(Cl)cc1Cl)c1ccncc1
InChIInChI=1S/C13H11Cl2N3O/c14-11-2-1-10(12(15)7-11)8-19-18-13(16)9-3-5-17-6-4-9/h1-7H,8H2,(H2,16,18)
InChIKeyFZVWJMNZHBZRCP-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'-[(2,4-dichlorophenyl)methoxy]-2-(1,2,4-triazol-1-yl)ethanimidamide;hydrochloride
CID 131632842
(2Z)-2-[(2,4-dichlorophenyl)methoxyimino]-3-oxobutanoic acid
CID 88719702
[[amino(pyridin-4-yl)methylidene]amino] 2-(4-chloro-2-methylphenoxy)acetate
CID 2869532
2-[(2,4-dichlorophenyl)methoxy]ethanamine
CID 14821323
N-[[amino(pyridin-4-yl)methylidene]amino]-2-(2,4-dichlorophenoxy)acetamide
CID 4749356
azonic acid;1-(2,4-dichlorophenyl)-N-[(2,4-dichlorophenyl)methoxy]-2-imidazol-1-ylethanimine
CID 159230946
1-(2,4-dichlorophenyl)-N-[(2,4-dichlorophenyl)methoxy]-2-(1,2,4-triazol-1-yl)ethanimine
CID 54420429
acetic acid;(Z)-1-(2,4-dichlorophenyl)-N-[(2,4-dichlorophenyl)methoxy]-2-imidazol-1-ylethanimine
CID 129184950
2-(2-amino-1,3-thiazol-4-yl)-2-[(2,4-dichlorophenyl)methoxyimino]acetic acid
CID 54076453
(3E)-3-[(2,4-dichlorophenyl)methoxyimino]-N-methoxy-N-methyl-3-phenylpropan-1-amine
CID 141076402
N'-[(Z)-[amino(pyridin-4-yl)methylidene]amino]pyridine-4-carboximidamide
CID 172958470
(2,4-dichlorophenyl)methyl N-(3,4-dichlorophenyl)carbamate
CID 27102174

Frequently Asked Questions

What is the IUPAC name of N'-[(2,4-dichlorophenyl)methoxy]pyridine-4-carboximidamide?
The IUPAC name of N'-[(2,4-dichlorophenyl)methoxy]pyridine-4-carboximidamide (CID 3838866) is N'-[(2,4-dichlorophenyl)methoxy]pyridine-4-carboximidamide.
What is the SMILES notation for N'-[(2,4-dichlorophenyl)methoxy]pyridine-4-carboximidamide?
The canonical SMILES for N'-[(2,4-dichlorophenyl)methoxy]pyridine-4-carboximidamide is NC(=NOCc1ccc(Cl)cc1Cl)c1ccncc1.
What is the InChIKey of N'-[(2,4-dichlorophenyl)methoxy]pyridine-4-carboximidamide?
The InChIKey is FZVWJMNZHBZRCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl2N3O/c14-11-2-1-10(12(15)7-11)8-19-18-13(16)9-3-5-17-6-4-9/h1-7H,8H2,(H2,16,18).
What are the key properties of N'-[(2,4-dichlorophenyl)methoxy]pyridine-4-carboximidamide?
N'-[(2,4-dichlorophenyl)methoxy]pyridine-4-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'-[(2,4-dichlorophenyl)methoxy]pyridine-4-carboximidamide is sourced from PubChem (CID 3838866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).