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

C16H18ClN3O — CID 61175403

IUPAC2-(4-chloro-2,6-dimethylphenoxy)-4,6-dimethylpyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1c(C)cc(C)nc1Oc1c(C)cc(Cl)cc1C
InChIInChI=1S/C16H18ClN3O/c1-8-5-11(4)20-16(13(8)15(18)19)21-14-9(2)6-12(17)7-10(14)3/h5-7H,1-4H3,(H3,18,19)
InChIKeyWFTRMINLFRJCRT-UHFFFAOYSA-N
MW303.79 g/mol
LogP4.05
Rot. Bonds3

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

2-(4-chloro-2,6-dimethylphenoxy)-4,6-dimethylpyridine-3-carboximidamide (PubChem CID 61175403) has the molecular formula C16H18ClN3O and a molecular weight of 303.79 g/mol. Its IUPAC name is 2-(4-chloro-2,6-dimethylphenoxy)-4,6-dimethylpyridine-3-carboximidamide.

Molecular Properties

Compound Name2-(4-chloro-2,6-dimethylphenoxy)-4,6-dimethylpyridine-3-carboximidamide
PubChem CID61175403
Molecular FormulaC16H18ClN3O
Molecular Weight303.79 g/mol
Exact Mass303.11
IUPAC Name2-(4-chloro-2,6-dimethylphenoxy)-4,6-dimethylpyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1c(C)cc(C)nc1Oc1c(C)cc(Cl)cc1C
InChIInChI=1S/C16H18ClN3O/c1-8-5-11(4)20-16(13(8)15(18)19)21-14-9(2)6-12(17)7-10(14)3/h5-7H,1-4H3,(H3,18,19)
InChIKeyWFTRMINLFRJCRT-UHFFFAOYSA-N
XLogP4.05
TPSA71.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.79
LogP ≤ 54.05
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-carbothioamide
CID 63518405
2-(2,5-dichlorophenoxy)-4,6-dimethylpyridine-3-carboximidamide
CID 61175597
2-(2-bromo-4-chlorophenoxy)-4,6-dimethylpyridine-3-carboximidamide
CID 61176543
2-(4-chloro-2,6-dimethylphenoxy)-6-methylpyridine-4-carboximidamide
CID 114769235
2-(2,5-difluorophenoxy)-4,6-dimethylpyridine-3-carboximidamide
CID 63269866
2-[4-(hydroxymethyl)phenoxy]-4,6-dimethylpyridine-3-carboximidamide
CID 61229142
2-(2,4-difluorophenoxy)-4,6-dimethylpyridine-3-carboximidamide
CID 61175206
4,6-dimethyl-2-(2-methylpropoxy)pyridine-3-carboximidamide
CID 61177313
2-(3-bromo-5-fluorophenoxy)-4,6-dimethylpyridine-3-carboximidamide
CID 81332133
2-chloro-6-(4-chloro-2,6-dimethylphenoxy)benzenecarboximidamide
CID 63525012
2-(2-ethoxyethoxy)-4,6-dimethylpyridine-3-carboximidamide
CID 61177118
methyl 4-chloro-2-(4-chloro-2,6-dimethylphenoxy)-6-methylpyridine-3-carboxylate
CID 24806260

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2,6-dimethylphenoxy)-4,6-dimethylpyridine-3-carboximidamide?
The IUPAC name of 2-(4-chloro-2,6-dimethylphenoxy)-4,6-dimethylpyridine-3-carboximidamide (CID 61175403) is 2-(4-chloro-2,6-dimethylphenoxy)-4,6-dimethylpyridine-3-carboximidamide.
What is the SMILES notation for 2-(4-chloro-2,6-dimethylphenoxy)-4,6-dimethylpyridine-3-carboximidamide?
The canonical SMILES for 2-(4-chloro-2,6-dimethylphenoxy)-4,6-dimethylpyridine-3-carboximidamide is [H]/N=C(\N)c1c(C)cc(C)nc1Oc1c(C)cc(Cl)cc1C.
What is the InChIKey of 2-(4-chloro-2,6-dimethylphenoxy)-4,6-dimethylpyridine-3-carboximidamide?
The InChIKey is WFTRMINLFRJCRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O/c1-8-5-11(4)20-16(13(8)15(18)19)21-14-9(2)6-12(17)7-10(14)3/h5-7H,1-4H3,(H3,18,19).
What are the key properties of 2-(4-chloro-2,6-dimethylphenoxy)-4,6-dimethylpyridine-3-carboximidamide?
2-(4-chloro-2,6-dimethylphenoxy)-4,6-dimethylpyridine-3-carboximidamide has a molecular weight of 303.79 g/mol, XLogP of 4.05, 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)-4,6-dimethylpyridine-3-carboximidamide is sourced from PubChem (CID 61175403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).