4-(2-chloro-4-methylphenoxy)-2,6-dimethylpyridine-3-carboximidamide

C15H16ClN3O — CID 81051909

IUPAC4-(2-chloro-4-methylphenoxy)-2,6-dimethylpyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1c(Oc2ccc(C)cc2Cl)cc(C)nc1C
InChIInChI=1S/C15H16ClN3O/c1-8-4-5-12(11(16)6-8)20-13-7-9(2)19-10(3)14(13)15(17)18/h4-7H,1-3H3,(H3,17,18)
InChIKeyYPHYHQUGCHEJKZ-UHFFFAOYSA-N
MW289.77 g/mol
LogP3.74
Rot. Bonds3

About 4-(2-chloro-4-methylphenoxy)-2,6-dimethylpyridine-3-carboximidamide

4-(2-chloro-4-methylphenoxy)-2,6-dimethylpyridine-3-carboximidamide (PubChem CID 81051909) has the molecular formula C15H16ClN3O and a molecular weight of 289.77 g/mol. Its IUPAC name is 4-(2-chloro-4-methylphenoxy)-2,6-dimethylpyridine-3-carboximidamide.

Molecular Properties

Compound Name4-(2-chloro-4-methylphenoxy)-2,6-dimethylpyridine-3-carboximidamide
PubChem CID81051909
Molecular FormulaC15H16ClN3O
Molecular Weight289.77 g/mol
Exact Mass289.10
IUPAC Name4-(2-chloro-4-methylphenoxy)-2,6-dimethylpyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1c(Oc2ccc(C)cc2Cl)cc(C)nc1C
InChIInChI=1S/C15H16ClN3O/c1-8-4-5-12(11(16)6-8)20-13-7-9(2)19-10(3)14(13)15(17)18/h4-7H,1-3H3,(H3,17,18)
InChIKeyYPHYHQUGCHEJKZ-UHFFFAOYSA-N
XLogP3.74
TPSA71.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.77
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-methoxy-2,6-dimethylpyridine-3-carboximidamide
CID 81052054
4-(5-fluoro-2-methylphenoxy)-2,6-dimethylpyridine-3-carboximidamide
CID 102982075
3-(2-chloro-4-methylphenoxy)pyrazine-2-carboximidamide
CID 62684739
4-[(4-chlorophenyl)methoxy]-2,6-dimethylpyridine-3-carboximidamide
CID 81052445
4-[3-(dimethylamino)phenoxy]-2,6-dimethylpyridine-3-carboximidamide
CID 81036917
5,6-dimethyl-3-(2,4,5-trichlorophenoxy)pyridazine-4-carboximidamide
CID 61092542
2-(2,3-dichlorophenoxy)-4-methylbenzenecarboximidamide
CID 55057065
2,6-dimethyl-4-(methylamino)pyridine-3-carboximidamide
CID 81052045
3-(2-chlorophenoxy)-5,6-dimethylpyridazine-4-carboximidamide
CID 61090482
2-chloro-6-[(2-ethyl-6-methyl-3-pyridinyl)oxy]benzenecarboximidamide
CID 103174833
2,6-dimethyl-4-(3-phenylpropoxy)pyridine-3-carboximidamide
CID 81036918
2,6-dimethyl-4-(4-methylpentoxy)pyridine-3-carboximidamide
CID 81051981

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-4-methylphenoxy)-2,6-dimethylpyridine-3-carboximidamide?
The IUPAC name of 4-(2-chloro-4-methylphenoxy)-2,6-dimethylpyridine-3-carboximidamide (CID 81051909) is 4-(2-chloro-4-methylphenoxy)-2,6-dimethylpyridine-3-carboximidamide.
What is the SMILES notation for 4-(2-chloro-4-methylphenoxy)-2,6-dimethylpyridine-3-carboximidamide?
The canonical SMILES for 4-(2-chloro-4-methylphenoxy)-2,6-dimethylpyridine-3-carboximidamide is [H]/N=C(\N)c1c(Oc2ccc(C)cc2Cl)cc(C)nc1C.
What is the InChIKey of 4-(2-chloro-4-methylphenoxy)-2,6-dimethylpyridine-3-carboximidamide?
The InChIKey is YPHYHQUGCHEJKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O/c1-8-4-5-12(11(16)6-8)20-13-7-9(2)19-10(3)14(13)15(17)18/h4-7H,1-3H3,(H3,17,18).
What are the key properties of 4-(2-chloro-4-methylphenoxy)-2,6-dimethylpyridine-3-carboximidamide?
4-(2-chloro-4-methylphenoxy)-2,6-dimethylpyridine-3-carboximidamide has a molecular weight of 289.77 g/mol, XLogP of 3.74, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-4-methylphenoxy)-2,6-dimethylpyridine-3-carboximidamide is sourced from PubChem (CID 81051909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).