methyl 4-(2,6-dimethylphenyl)-5-methoxypyridine-2-carboxylate

C16H17NO3 — CID 166844850

IUPACmethyl 4-(2,6-dimethylphenyl)-5-methoxypyridine-2-carboxylate
SMILESCOC(=O)c1cc(-c2c(C)cccc2C)c(OC)cn1
InChIInChI=1S/C16H17NO3/c1-10-6-5-7-11(2)15(10)12-8-13(16(18)20-4)17-9-14(12)19-3/h5-9H,1-4H3
InChIKeyAMWJWKCGRITEBA-UHFFFAOYSA-N
MW271.32 g/mol
LogP3.16
Rot. Bonds3

About methyl 4-(2,6-dimethylphenyl)-5-methoxypyridine-2-carboxylate

methyl 4-(2,6-dimethylphenyl)-5-methoxypyridine-2-carboxylate (PubChem CID 166844850) has the molecular formula C16H17NO3 and a molecular weight of 271.32 g/mol. Its IUPAC name is methyl 4-(2,6-dimethylphenyl)-5-methoxypyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-(2,6-dimethylphenyl)-5-methoxypyridine-2-carboxylate
PubChem CID166844850
Molecular FormulaC16H17NO3
Molecular Weight271.32 g/mol
Exact Mass271.12
IUPAC Namemethyl 4-(2,6-dimethylphenyl)-5-methoxypyridine-2-carboxylate
SMILESCOC(=O)c1cc(-c2c(C)cccc2C)c(OC)cn1
InChIInChI=1S/C16H17NO3/c1-10-6-5-7-11(2)15(10)12-8-13(16(18)20-4)17-9-14(12)19-3/h5-9H,1-4H3
InChIKeyAMWJWKCGRITEBA-UHFFFAOYSA-N
XLogP3.16
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 8-methoxyisoquinoline-3-carboxylate
CID 66940406
1,4-bis(2,6-dimethylphenyl)-2,5-dimethoxybenzene
CID 156631925
methyl 4-(5-amino-1,3-benzoxazol-2-yl)-5-methoxypyridine-2-carboxylate
CID 156640331
methyl 5-(aminomethyl)-4-methoxypyridine-2-carboxylate
CID 166869376
ethyl 5-methoxyisoquinoline-3-carboxylate
CID 131699571
methyl 6-(2-methylphenyl)pyrimidine-4-carboxylate
CID 122239270
methyl 5-ethyl-4-methylpyridine-2-carboxylate
CID 130047128
methyl 4-methyl-5-propan-2-ylpyridine-2-carboxylate
CID 130210234
ethane;methyl isoquinoline-3-carboxylate
CID 123724655
methyl 5-hydroxyisoquinoline-3-carboxylate
CID 131582448
methyl 5-methyl-4-(2-methyl-1,3-thiazol-5-yl)pyridine-2-carboxylate
CID 153078007
carbon dioxide;methyl 5-methylpyridine-2-carboxylate
CID 157165111

Frequently Asked Questions

What is the IUPAC name of methyl 4-(2,6-dimethylphenyl)-5-methoxypyridine-2-carboxylate?
The IUPAC name of methyl 4-(2,6-dimethylphenyl)-5-methoxypyridine-2-carboxylate (CID 166844850) is methyl 4-(2,6-dimethylphenyl)-5-methoxypyridine-2-carboxylate.
What is the SMILES notation for methyl 4-(2,6-dimethylphenyl)-5-methoxypyridine-2-carboxylate?
The canonical SMILES for methyl 4-(2,6-dimethylphenyl)-5-methoxypyridine-2-carboxylate is COC(=O)c1cc(-c2c(C)cccc2C)c(OC)cn1.
What is the InChIKey of methyl 4-(2,6-dimethylphenyl)-5-methoxypyridine-2-carboxylate?
The InChIKey is AMWJWKCGRITEBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3/c1-10-6-5-7-11(2)15(10)12-8-13(16(18)20-4)17-9-14(12)19-3/h5-9H,1-4H3.
What are the key properties of methyl 4-(2,6-dimethylphenyl)-5-methoxypyridine-2-carboxylate?
methyl 4-(2,6-dimethylphenyl)-5-methoxypyridine-2-carboxylate has a molecular weight of 271.32 g/mol, XLogP of 3.16, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(2,6-dimethylphenyl)-5-methoxypyridine-2-carboxylate is sourced from PubChem (CID 166844850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).