2-(4-chloro-2,6-dimethylphenoxy)-6-methylpyridine-4-carboximidamide

C15H16ClN3O — CID 114769235

IUPAC2-(4-chloro-2,6-dimethylphenoxy)-6-methylpyridine-4-carboximidamide
SMILES[H]/N=C(\N)c1cc(C)nc(Oc2c(C)cc(Cl)cc2C)c1
InChIInChI=1S/C15H16ClN3O/c1-8-4-12(16)5-9(2)14(8)20-13-7-11(15(17)18)6-10(3)19-13/h4-7H,1-3H3,(H3,17,18)
InChIKeyMMECDZSVEDWMRR-UHFFFAOYSA-N
MW289.77 g/mol
LogP3.74
Rot. Bonds3

About 2-(4-chloro-2,6-dimethylphenoxy)-6-methylpyridine-4-carboximidamide

2-(4-chloro-2,6-dimethylphenoxy)-6-methylpyridine-4-carboximidamide (PubChem CID 114769235) has the molecular formula C15H16ClN3O and a molecular weight of 289.77 g/mol. Its IUPAC name is 2-(4-chloro-2,6-dimethylphenoxy)-6-methylpyridine-4-carboximidamide.

Molecular Properties

Compound Name2-(4-chloro-2,6-dimethylphenoxy)-6-methylpyridine-4-carboximidamide
PubChem CID114769235
Molecular FormulaC15H16ClN3O
Molecular Weight289.77 g/mol
Exact Mass289.10
IUPAC Name2-(4-chloro-2,6-dimethylphenoxy)-6-methylpyridine-4-carboximidamide
SMILES[H]/N=C(\N)c1cc(C)nc(Oc2c(C)cc(Cl)cc2C)c1
InChIInChI=1S/C15H16ClN3O/c1-8-4-12(16)5-9(2)14(8)20-13-7-11(15(17)18)6-10(3)19-13/h4-7H,1-3H3,(H3,17,18)
InChIKeyMMECDZSVEDWMRR-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

2-(4-chloro-2,6-dimethylphenoxy)-4,6-dimethylpyridine-3-carboximidamide
CID 61175403
2-(3,5-difluorophenoxy)-6-methylpyridine-4-carboximidamide
CID 114769335
2-methyl-6-(2-methyl-6-nitrophenoxy)pyridine-4-carboximidamide
CID 114769381
2-methyl-6-(3-methyl-4-propan-2-ylphenoxy)pyridine-4-carboximidamide
CID 114769248
3-bromo-4-(4-chloro-2,6-dimethylphenoxy)benzenecarboximidamide
CID 82800181
2-(4-bromo-2-propan-2-ylphenoxy)-6-methylpyridine-4-carboximidamide
CID 114769377
2-(2-ethoxyphenoxy)-6-methylpyridine-4-carboximidamide
CID 114769243
2-methyl-6-pentoxypyridine-4-carboximidamide
CID 114769287
2-[3-(methoxymethyl)phenoxy]-6-methylpyridine-4-carboximidamide
CID 114769347
2-methyl-6-phenylmethoxypyridine-4-carboximidamide
CID 114769208
2-[2-(dimethylamino)-2-methylpropoxy]-6-methylpyridine-4-carboximidamide
CID 114769367
2-(2,6-dimethylphenoxy)pyridine-4-carboximidamide
CID 24710757

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2,6-dimethylphenoxy)-6-methylpyridine-4-carboximidamide?
The IUPAC name of 2-(4-chloro-2,6-dimethylphenoxy)-6-methylpyridine-4-carboximidamide (CID 114769235) is 2-(4-chloro-2,6-dimethylphenoxy)-6-methylpyridine-4-carboximidamide.
What is the SMILES notation for 2-(4-chloro-2,6-dimethylphenoxy)-6-methylpyridine-4-carboximidamide?
The canonical SMILES for 2-(4-chloro-2,6-dimethylphenoxy)-6-methylpyridine-4-carboximidamide is [H]/N=C(\N)c1cc(C)nc(Oc2c(C)cc(Cl)cc2C)c1.
What is the InChIKey of 2-(4-chloro-2,6-dimethylphenoxy)-6-methylpyridine-4-carboximidamide?
The InChIKey is MMECDZSVEDWMRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O/c1-8-4-12(16)5-9(2)14(8)20-13-7-11(15(17)18)6-10(3)19-13/h4-7H,1-3H3,(H3,17,18).
What are the key properties of 2-(4-chloro-2,6-dimethylphenoxy)-6-methylpyridine-4-carboximidamide?
2-(4-chloro-2,6-dimethylphenoxy)-6-methylpyridine-4-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 2-(4-chloro-2,6-dimethylphenoxy)-6-methylpyridine-4-carboximidamide is sourced from PubChem (CID 114769235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).