methyl 4-chloro-2-(4-chloro-2,6-dimethylphenoxy)-6-methylpyridine-3-carboxylate

C16H15Cl2NO3 — CID 24806260

IUPACmethyl 4-chloro-2-(4-chloro-2,6-dimethylphenoxy)-6-methylpyridine-3-carboxylate
SMILESCOC(=O)c1c(Cl)cc(C)nc1Oc1c(C)cc(Cl)cc1C
InChIInChI=1S/C16H15Cl2NO3/c1-8-5-11(17)6-9(2)14(8)22-15-13(16(20)21-4)12(18)7-10(3)19-15/h5-7H,1-4H3
InChIKeyNXRZMIDGPGTPOC-UHFFFAOYSA-N
MW340.21 g/mol
LogP4.89
Rot. Bonds3

About methyl 4-chloro-2-(4-chloro-2,6-dimethylphenoxy)-6-methylpyridine-3-carboxylate

methyl 4-chloro-2-(4-chloro-2,6-dimethylphenoxy)-6-methylpyridine-3-carboxylate (PubChem CID 24806260) has the molecular formula C16H15Cl2NO3 and a molecular weight of 340.21 g/mol. Its IUPAC name is methyl 4-chloro-2-(4-chloro-2,6-dimethylphenoxy)-6-methylpyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-chloro-2-(4-chloro-2,6-dimethylphenoxy)-6-methylpyridine-3-carboxylate
PubChem CID24806260
Molecular FormulaC16H15Cl2NO3
Molecular Weight340.21 g/mol
Exact Mass339.04
IUPAC Namemethyl 4-chloro-2-(4-chloro-2,6-dimethylphenoxy)-6-methylpyridine-3-carboxylate
SMILESCOC(=O)c1c(Cl)cc(C)nc1Oc1c(C)cc(Cl)cc1C
InChIInChI=1S/C16H15Cl2NO3/c1-8-5-11(17)6-9(2)14(8)22-15-13(16(20)21-4)12(18)7-10(3)19-15/h5-7H,1-4H3
InChIKeyNXRZMIDGPGTPOC-UHFFFAOYSA-N
XLogP4.89
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.21
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chloro-2,6-dimethylphenoxy)-4,6-dimethylpyridine-3-carbothioamide
CID 63518405
methyl 2-chloro-4,6-dimethylpyridine-3-carboxylate
CID 50903563
2-(4-chloro-2,6-dimethylphenoxy)-4,6-dimethylpyridine-3-carboximidamide
CID 61175403
2-(4-chloro-2,6-dimethylphenoxy)-6-methyl-4-(1-oxobutan-2-ylamino)pyridine-3-carboxamide
CID 86584332
methyl 6-chloro-4,8-dimethylquinoline-2-carboxylate
CID 82574609
2-(4-chloro-2,6-dimethylphenoxy)-6-methylpyrimidine-4-carboxylic acid
CID 107554750
methyl 6,8-dichloro-2-methylquinoline-4-carboxylate
CID 82574672
methyl 3-amino-2,6-dichloro-4-methylbenzoate
CID 58277770
methyl 2-chloro-4-(dimethylamino)-6-methylpyridine-3-carboxylate
CID 115036911
carbon dioxide;methyl 4-chloro-6-methylpyridine-2-carboxylate
CID 158534965
2-(2,4-dichlorophenoxy)-4,6-dimethylpyridine-3-carboxylic acid
CID 60678494
methyl 2-(4-chloro-2,6-dimethylphenoxy)-5-[ethyl-[2-[ethyl(methyl)amino]ethyl]amino]-6-methylpyridine-3-carboxylate
CID 70140070

Frequently Asked Questions

What is the IUPAC name of methyl 4-chloro-2-(4-chloro-2,6-dimethylphenoxy)-6-methylpyridine-3-carboxylate?
The IUPAC name of methyl 4-chloro-2-(4-chloro-2,6-dimethylphenoxy)-6-methylpyridine-3-carboxylate (CID 24806260) is methyl 4-chloro-2-(4-chloro-2,6-dimethylphenoxy)-6-methylpyridine-3-carboxylate.
What is the SMILES notation for methyl 4-chloro-2-(4-chloro-2,6-dimethylphenoxy)-6-methylpyridine-3-carboxylate?
The canonical SMILES for methyl 4-chloro-2-(4-chloro-2,6-dimethylphenoxy)-6-methylpyridine-3-carboxylate is COC(=O)c1c(Cl)cc(C)nc1Oc1c(C)cc(Cl)cc1C.
What is the InChIKey of methyl 4-chloro-2-(4-chloro-2,6-dimethylphenoxy)-6-methylpyridine-3-carboxylate?
The InChIKey is NXRZMIDGPGTPOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2NO3/c1-8-5-11(17)6-9(2)14(8)22-15-13(16(20)21-4)12(18)7-10(3)19-15/h5-7H,1-4H3.
What are the key properties of methyl 4-chloro-2-(4-chloro-2,6-dimethylphenoxy)-6-methylpyridine-3-carboxylate?
methyl 4-chloro-2-(4-chloro-2,6-dimethylphenoxy)-6-methylpyridine-3-carboxylate has a molecular weight of 340.21 g/mol, XLogP of 4.89, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-chloro-2-(4-chloro-2,6-dimethylphenoxy)-6-methylpyridine-3-carboxylate is sourced from PubChem (CID 24806260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).