ethyl 6-(2,5-dimethylphenyl)-2-methylpyridine-3-carboxylate

C17H19NO2 — CID 115917530

IUPACethyl 6-(2,5-dimethylphenyl)-2-methylpyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(-c2cc(C)ccc2C)nc1C
InChIInChI=1S/C17H19NO2/c1-5-20-17(19)14-8-9-16(18-13(14)4)15-10-11(2)6-7-12(15)3/h6-10H,5H2,1-4H3
InChIKeyOHIVZERZLCAVDS-UHFFFAOYSA-N
MW269.34 g/mol
LogP3.85
Rot. Bonds3

About ethyl 6-(2,5-dimethylphenyl)-2-methylpyridine-3-carboxylate

ethyl 6-(2,5-dimethylphenyl)-2-methylpyridine-3-carboxylate (PubChem CID 115917530) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is ethyl 6-(2,5-dimethylphenyl)-2-methylpyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-(2,5-dimethylphenyl)-2-methylpyridine-3-carboxylate
PubChem CID115917530
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Nameethyl 6-(2,5-dimethylphenyl)-2-methylpyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(-c2cc(C)ccc2C)nc1C
InChIInChI=1S/C17H19NO2/c1-5-20-17(19)14-8-9-16(18-13(14)4)15-10-11(2)6-7-12(15)3/h6-10H,5H2,1-4H3
InChIKeyOHIVZERZLCAVDS-UHFFFAOYSA-N
XLogP3.85
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 6-(2,5-dimethylphenyl)-2-ethylpyridine-3-carboxylate
CID 116532924
ethyl 6-(3,5-dimethylphenyl)-2-methylpyridine-3-carboxylate
CID 115917484
ethyl 6-(2-chloro-4-fluorophenyl)-2-methylpyridine-3-carboxylate
CID 115917522
6-(2,4-dimethylphenyl)-2-methylpyridine-3-carboximidamide
CID 82452571
ethyl 2-methyl-6-(2-oxochromen-3-yl)pyridine-3-carboxylate
CID 23248660
ethyl 6-(4-ethoxyphenyl)-2-methylpyridine-3-carboxylate
CID 115917504
ethyl 6-(3-fluorophenyl)-2-methylpyridine-3-carboxylate
CID 69039398
ethyl 6-(3-chlorophenyl)-2-methylpyridine-3-carboxylate
CID 112561955
ethyl 6-(5-ethoxycarbonyl-6-nitro-2-pyridinyl)-2-methylpyridine-3-carboxylate
CID 54542288
ethyl 2-methyl-6-pyridin-3-ylpyridine-3-carboxylate
CID 112561966
ethyl 2-methyl-6-(5,6,7,8-tetrahydronaphthalen-2-yl)pyridine-3-carboxylate
CID 71653208
2-[6-(2,5-dimethylphenyl)-2-methyl-3-pyridinyl]propan-2-amine
CID 82452654

Frequently Asked Questions

What is the IUPAC name of ethyl 6-(2,5-dimethylphenyl)-2-methylpyridine-3-carboxylate?
The IUPAC name of ethyl 6-(2,5-dimethylphenyl)-2-methylpyridine-3-carboxylate (CID 115917530) is ethyl 6-(2,5-dimethylphenyl)-2-methylpyridine-3-carboxylate.
What is the SMILES notation for ethyl 6-(2,5-dimethylphenyl)-2-methylpyridine-3-carboxylate?
The canonical SMILES for ethyl 6-(2,5-dimethylphenyl)-2-methylpyridine-3-carboxylate is CCOC(=O)c1ccc(-c2cc(C)ccc2C)nc1C.
What is the InChIKey of ethyl 6-(2,5-dimethylphenyl)-2-methylpyridine-3-carboxylate?
The InChIKey is OHIVZERZLCAVDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2/c1-5-20-17(19)14-8-9-16(18-13(14)4)15-10-11(2)6-7-12(15)3/h6-10H,5H2,1-4H3.
What are the key properties of ethyl 6-(2,5-dimethylphenyl)-2-methylpyridine-3-carboxylate?
ethyl 6-(2,5-dimethylphenyl)-2-methylpyridine-3-carboxylate has a molecular weight of 269.34 g/mol, XLogP of 3.85, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-(2,5-dimethylphenyl)-2-methylpyridine-3-carboxylate is sourced from PubChem (CID 115917530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).