dimethyl 2,6-dimethylpyridine-3,5-dicarboxylate

C11H13NO4 — CID 854175

IUPACdimethyl 2,6-dimethylpyridine-3,5-dicarboxylate
SMILESCOC(=O)c1cc(C(=O)OC)c(C)nc1C
InChIInChI=1S/C11H13NO4/c1-6-8(10(13)15-3)5-9(7(2)12-6)11(14)16-4/h5H,1-4H3
InChIKeyUTGAVWVWCKHFRU-UHFFFAOYSA-N
MW223.23 g/mol
LogP1.27
Rot. Bonds2

About dimethyl 2,6-dimethylpyridine-3,5-dicarboxylate

dimethyl 2,6-dimethylpyridine-3,5-dicarboxylate (PubChem CID 854175) has the molecular formula C11H13NO4 and a molecular weight of 223.23 g/mol. Its IUPAC name is dimethyl 2,6-dimethylpyridine-3,5-dicarboxylate.

Molecular Properties

Compound Namedimethyl 2,6-dimethylpyridine-3,5-dicarboxylate
PubChem CID854175
Molecular FormulaC11H13NO4
Molecular Weight223.23 g/mol
Exact Mass223.08
IUPAC Namedimethyl 2,6-dimethylpyridine-3,5-dicarboxylate
SMILESCOC(=O)c1cc(C(=O)OC)c(C)nc1C
InChIInChI=1S/C11H13NO4/c1-6-8(10(13)15-3)5-9(7(2)12-6)11(14)16-4/h5H,1-4H3
InChIKeyUTGAVWVWCKHFRU-UHFFFAOYSA-N
XLogP1.27
TPSA65.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Diethyl 2,6-dimethylpyridine-3,5-dicarboxylate
CID 245983
Diethyl 2,6-Dimethyl-4-Phenylpyridine-3,5-Dicarboxylate
CID 629929
2,6-Dimethylpyridine-3,5-dicarboxylic acid
CID 296010
Methyl 6-methylnicotinate
CID 231548
Ethyl 4-(dicyanomethyl)-2,6-dimethylpyridine-3-carboxylate
CID 658661
3-Ethyl 5-propyl 4,6-dimethyl-2-phenylpyridine-3,5-dicarboxylate
CID 10569216
Diethyl 4-ethyl-2-methyl-6-phenylpyridine-3,5-dicarboxylate
CID 10688603
Diethyl 1,4-dihydro-2,4,6-trimethyl-3,5-pyridinedicarboxylate
CID 99572
2-Methyl-6-(trifluoromethyl)nicotinic acid
CID 2775683
Methyl 6-(4-fluorophenyl)-2-methylnicotinate
CID 822971
Diethyl 2,4-diethyl-6-phenylpyridine-3,5-dicarboxylate
CID 44413083
3-Ethyl 5-propyl 2,4-diethyl-6-phenylpyridine-3,5-dicarboxylate
CID 44413084

Frequently Asked Questions

What is the IUPAC name of dimethyl 2,6-dimethylpyridine-3,5-dicarboxylate?
The IUPAC name of dimethyl 2,6-dimethylpyridine-3,5-dicarboxylate (CID 854175) is dimethyl 2,6-dimethylpyridine-3,5-dicarboxylate.
What is the SMILES notation for dimethyl 2,6-dimethylpyridine-3,5-dicarboxylate?
The canonical SMILES for dimethyl 2,6-dimethylpyridine-3,5-dicarboxylate is COC(=O)c1cc(C(=O)OC)c(C)nc1C.
What is the InChIKey of dimethyl 2,6-dimethylpyridine-3,5-dicarboxylate?
The InChIKey is UTGAVWVWCKHFRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO4/c1-6-8(10(13)15-3)5-9(7(2)12-6)11(14)16-4/h5H,1-4H3.
What are the key properties of dimethyl 2,6-dimethylpyridine-3,5-dicarboxylate?
dimethyl 2,6-dimethylpyridine-3,5-dicarboxylate has a molecular weight of 223.23 g/mol, XLogP of 1.27, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2,6-dimethylpyridine-3,5-dicarboxylate is sourced from PubChem (CID 854175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).