N'-[2-[(3,5-dichloro-2-pyridinyl)oxy]ethyl]morpholine-4-carboximidamide;hydroiodide

C12H17Cl2IN4O2 — CID 86779305

IUPACN'-[2-[(3,5-dichloro-2-pyridinyl)oxy]ethyl]morpholine-4-carboximidamide;hydroiodide
SMILESI.N/C(=N\CCOc1ncc(Cl)cc1Cl)N1CCOCC1
InChIInChI=1S/C12H16Cl2N4O2.HI/c13-9-7-10(14)11(17-8-9)20-4-1-16-12(15)18-2-5-19-6-3-18;/h7-8H,1-6H2,(H2,15,16);1H
InChIKeyOIUXHUNBEQQZPC-UHFFFAOYSA-N
MW447.10 g/mol
LogP2.03
Rot. Bonds4

About N'-[2-[(3,5-dichloro-2-pyridinyl)oxy]ethyl]morpholine-4-carboximidamide;hydroiodide

N'-[2-[(3,5-dichloro-2-pyridinyl)oxy]ethyl]morpholine-4-carboximidamide;hydroiodide (PubChem CID 86779305) has the molecular formula C12H17Cl2IN4O2 and a molecular weight of 447.10 g/mol. Its IUPAC name is N'-[2-[(3,5-dichloro-2-pyridinyl)oxy]ethyl]morpholine-4-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN'-[2-[(3,5-dichloro-2-pyridinyl)oxy]ethyl]morpholine-4-carboximidamide;hydroiodide
PubChem CID86779305
Molecular FormulaC12H17Cl2IN4O2
Molecular Weight447.10 g/mol
Exact Mass445.98
IUPAC NameN'-[2-[(3,5-dichloro-2-pyridinyl)oxy]ethyl]morpholine-4-carboximidamide;hydroiodide
SMILESI.N/C(=N\CCOc1ncc(Cl)cc1Cl)N1CCOCC1
InChIInChI=1S/C12H16Cl2N4O2.HI/c13-9-7-10(14)11(17-8-9)20-4-1-16-12(15)18-2-5-19-6-3-18;/h7-8H,1-6H2,(H2,15,16);1H
InChIKeyOIUXHUNBEQQZPC-UHFFFAOYSA-N
XLogP2.03
TPSA72.97 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.10
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N'-[2-[(3,5-dichloro-2-pyridinyl)oxy]ethyl]piperidine-1-carboximidamide
CID 75426956
N'-[2-(3,5-dimethylphenoxy)ethyl]morpholine-4-carboximidamide
CID 111078515
N'-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-2-methylmorpholine-4-carboximidamide;hydroiodide
CID 120661861
N'-[2-(4-propan-2-ylphenoxy)ethyl]morpholine-4-carboximidamide
CID 111071957
N'-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide;hydroiodide
CID 111819447
N'-[2-(2-methylphenoxy)ethyl]morpholine-4-carboximidamide
CID 111076297
N'-(2-ethoxyethyl)morpholine-4-carboximidamide;hydroiodide
CID 111045505
N'-(2-cyclopentyloxyethyl)morpholine-4-carboximidamide
CID 99816286
N'-[3-(4-chlorophenyl)propyl]morpholine-4-carboximidamide
CID 100674114
N'-[2-(2-propan-2-ylphenoxy)ethyl]morpholine-4-carboximidamide
CID 111811204
N'-[3-(4-methoxyphenoxy)propyl]morpholine-4-carboximidamide;hydroiodide
CID 111079416
N'-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]thiomorpholine-4-carboximidamide
CID 111063564

Frequently Asked Questions

What is the IUPAC name of N'-[2-[(3,5-dichloro-2-pyridinyl)oxy]ethyl]morpholine-4-carboximidamide;hydroiodide?
The IUPAC name of N'-[2-[(3,5-dichloro-2-pyridinyl)oxy]ethyl]morpholine-4-carboximidamide;hydroiodide (CID 86779305) is N'-[2-[(3,5-dichloro-2-pyridinyl)oxy]ethyl]morpholine-4-carboximidamide;hydroiodide.
What is the SMILES notation for N'-[2-[(3,5-dichloro-2-pyridinyl)oxy]ethyl]morpholine-4-carboximidamide;hydroiodide?
The canonical SMILES for N'-[2-[(3,5-dichloro-2-pyridinyl)oxy]ethyl]morpholine-4-carboximidamide;hydroiodide is I.N/C(=N\CCOc1ncc(Cl)cc1Cl)N1CCOCC1.
What is the InChIKey of N'-[2-[(3,5-dichloro-2-pyridinyl)oxy]ethyl]morpholine-4-carboximidamide;hydroiodide?
The InChIKey is OIUXHUNBEQQZPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Cl2N4O2.HI/c13-9-7-10(14)11(17-8-9)20-4-1-16-12(15)18-2-5-19-6-3-18;/h7-8H,1-6H2,(H2,15,16);1H.
What are the key properties of N'-[2-[(3,5-dichloro-2-pyridinyl)oxy]ethyl]morpholine-4-carboximidamide;hydroiodide?
N'-[2-[(3,5-dichloro-2-pyridinyl)oxy]ethyl]morpholine-4-carboximidamide;hydroiodide has a molecular weight of 447.10 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[(3,5-dichloro-2-pyridinyl)oxy]ethyl]morpholine-4-carboximidamide;hydroiodide is sourced from PubChem (CID 86779305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).