dimethyl 4-propylpyridine-2,6-dicarboxylate

C12H15NO4 — CID 138532950

IUPACdimethyl 4-propylpyridine-2,6-dicarboxylate
SMILESCCCc1cc(C(=O)OC)nc(C(=O)OC)c1
InChIInChI=1S/C12H15NO4/c1-4-5-8-6-9(11(14)16-2)13-10(7-8)12(15)17-3/h6-7H,4-5H2,1-3H3
InChIKeySTKWJTBUGJDSGP-UHFFFAOYSA-N
MW237.25 g/mol
LogP1.61
Rot. Bonds4

About dimethyl 4-propylpyridine-2,6-dicarboxylate

dimethyl 4-propylpyridine-2,6-dicarboxylate (PubChem CID 138532950) has the molecular formula C12H15NO4 and a molecular weight of 237.25 g/mol. Its IUPAC name is dimethyl 4-propylpyridine-2,6-dicarboxylate.

Molecular Properties

Compound Namedimethyl 4-propylpyridine-2,6-dicarboxylate
PubChem CID138532950
Molecular FormulaC12H15NO4
Molecular Weight237.25 g/mol
Exact Mass237.10
IUPAC Namedimethyl 4-propylpyridine-2,6-dicarboxylate
SMILESCCCc1cc(C(=O)OC)nc(C(=O)OC)c1
InChIInChI=1S/C12H15NO4/c1-4-5-8-6-9(11(14)16-2)13-10(7-8)12(15)17-3/h6-7H,4-5H2,1-3H3
InChIKeySTKWJTBUGJDSGP-UHFFFAOYSA-N
XLogP1.61
TPSA65.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

dimethyl 4-ethoxypyridine-2,6-dicarboxylate
CID 73212602
methyl 2-(2-bromo-4-propylanilino)-6-methylpyrimidine-4-carboxylate
CID 18323706
methyl 5-propylpyrimidine-2-carboxylate
CID 162961445
[2,6-bis(methoxycarbonyl)-4-pyridinyl]methyl-triphenylphosphanium
CID 56935297
methyl 3-(1-methoxyethenyl)-5-propylbenzoate
CID 142037167
4-ethoxy-6-methoxycarbonylpyridine-2-carboxylic acid
CID 23292064
methyl 3-propylbenzoate
CID 12861009
methyl 4-chloro-8-propylquinoline-2-carboxylate
CID 55183253
methyl 6-butyl-4-methylquinoline-2-carboxylate
CID 82574615
methyl 6-methyl-2-propylsulfanylpyrimidine-4-carboxylate
CID 144808196
dimethyl 4-[(2-methoxy-2-oxoethyl)carbamoyl]pyridine-2,6-dicarboxylate
CID 139320839
methyl 4-(2-hydroxyethyl)pyridine-2-carboxylate
CID 15719002

Frequently Asked Questions

What is the IUPAC name of dimethyl 4-propylpyridine-2,6-dicarboxylate?
The IUPAC name of dimethyl 4-propylpyridine-2,6-dicarboxylate (CID 138532950) is dimethyl 4-propylpyridine-2,6-dicarboxylate.
What is the SMILES notation for dimethyl 4-propylpyridine-2,6-dicarboxylate?
The canonical SMILES for dimethyl 4-propylpyridine-2,6-dicarboxylate is CCCc1cc(C(=O)OC)nc(C(=O)OC)c1.
What is the InChIKey of dimethyl 4-propylpyridine-2,6-dicarboxylate?
The InChIKey is STKWJTBUGJDSGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO4/c1-4-5-8-6-9(11(14)16-2)13-10(7-8)12(15)17-3/h6-7H,4-5H2,1-3H3.
What are the key properties of dimethyl 4-propylpyridine-2,6-dicarboxylate?
dimethyl 4-propylpyridine-2,6-dicarboxylate has a molecular weight of 237.25 g/mol, XLogP of 1.61, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 4-propylpyridine-2,6-dicarboxylate is sourced from PubChem (CID 138532950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).