dimethyl 4-butyl-6-methylpyridine-2,3-dicarboxylate

C14H19NO4 — CID 44521370

IUPACdimethyl 4-butyl-6-methylpyridine-2,3-dicarboxylate
SMILESCCCCc1cc(C)nc(C(=O)OC)c1C(=O)OC
InChIInChI=1S/C14H19NO4/c1-5-6-7-10-8-9(2)15-12(14(17)19-4)11(10)13(16)18-3/h8H,5-7H2,1-4H3
InChIKeyFJLIGXWPGMMXGK-UHFFFAOYSA-N
MW265.31 g/mol
LogP2.31
Rot. Bonds5

About dimethyl 4-butyl-6-methylpyridine-2,3-dicarboxylate

dimethyl 4-butyl-6-methylpyridine-2,3-dicarboxylate (PubChem CID 44521370) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is dimethyl 4-butyl-6-methylpyridine-2,3-dicarboxylate.

Molecular Properties

Compound Namedimethyl 4-butyl-6-methylpyridine-2,3-dicarboxylate
PubChem CID44521370
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Namedimethyl 4-butyl-6-methylpyridine-2,3-dicarboxylate
SMILESCCCCc1cc(C)nc(C(=O)OC)c1C(=O)OC
InChIInChI=1S/C14H19NO4/c1-5-6-7-10-8-9(2)15-12(14(17)19-4)11(10)13(16)18-3/h8H,5-7H2,1-4H3
InChIKeyFJLIGXWPGMMXGK-UHFFFAOYSA-N
XLogP2.31
TPSA65.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

tetramethyl 1,4,8,11-tetrabutyl-6,13-dimethylpentacene-2,3,9,10-tetracarboxylate
CID 59444892
methyl 2-heptyl-4,6-dihydroxybenzoate
CID 14581930
dimethyl 6-methyl-4-phenylpyridine-2,3-dicarboxylate
CID 102083837
dimethyl 6-octyl-3,4-dipropylbenzene-1,2-dicarboxylate
CID 86229285
dimethyl 4-hexylpyridazine-3,6-dicarboxylate
CID 592524
dimethyl 1,4,6,13-tetrabutylpentacene-2,3-dicarboxylate
CID 11974568
methyl 4-(chloromethyl)-3-(difluoromethyl)-6-methylpyridine-2-carboxylate
CID 130090590
methyl 2-ethyl-6-methyl-[1,3]thiazolo[4,5-c]pyridine-4-carboxylate
CID 76850514
dimethyl 5-butyl-2-ethyl-4-hydroxybenzene-1,3-dicarboxylate
CID 42640367
methyl 2-methyl-4-pentoxy-6-propylbenzoate
CID 143015435
methyl 4-bromo-3-hydroxy-6-methylpyridine-2-carboxylate
CID 142367193
methyl 5-butyl-1H-pyrazole-3-carboxylate
CID 82634404

Frequently Asked Questions

What is the IUPAC name of dimethyl 4-butyl-6-methylpyridine-2,3-dicarboxylate?
The IUPAC name of dimethyl 4-butyl-6-methylpyridine-2,3-dicarboxylate (CID 44521370) is dimethyl 4-butyl-6-methylpyridine-2,3-dicarboxylate.
What is the SMILES notation for dimethyl 4-butyl-6-methylpyridine-2,3-dicarboxylate?
The canonical SMILES for dimethyl 4-butyl-6-methylpyridine-2,3-dicarboxylate is CCCCc1cc(C)nc(C(=O)OC)c1C(=O)OC.
What is the InChIKey of dimethyl 4-butyl-6-methylpyridine-2,3-dicarboxylate?
The InChIKey is FJLIGXWPGMMXGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-5-6-7-10-8-9(2)15-12(14(17)19-4)11(10)13(16)18-3/h8H,5-7H2,1-4H3.
What are the key properties of dimethyl 4-butyl-6-methylpyridine-2,3-dicarboxylate?
dimethyl 4-butyl-6-methylpyridine-2,3-dicarboxylate has a molecular weight of 265.31 g/mol, XLogP of 2.31, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 4-butyl-6-methylpyridine-2,3-dicarboxylate is sourced from PubChem (CID 44521370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).