ethyl 2-methyl-6-propylpyridine-3-carboxylate

C12H17NO2 — CID 3015957

IUPACethyl 2-methyl-6-propylpyridine-3-carboxylate
SMILESCCCc1ccc(C(=O)OCC)c(C)n1
InChIInChI=1S/C12H17NO2/c1-4-6-10-7-8-11(9(3)13-10)12(14)15-5-2/h7-8H,4-6H2,1-3H3
InChIKeyWEOJOGGMINAUKY-UHFFFAOYSA-N
MW207.27 g/mol
LogP2.52
Rot. Bonds4

About ethyl 2-methyl-6-propylpyridine-3-carboxylate

ethyl 2-methyl-6-propylpyridine-3-carboxylate (PubChem CID 3015957) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is ethyl 2-methyl-6-propylpyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-methyl-6-propylpyridine-3-carboxylate
PubChem CID3015957
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Nameethyl 2-methyl-6-propylpyridine-3-carboxylate
SMILESCCCc1ccc(C(=O)OCC)c(C)n1
InChIInChI=1S/C12H17NO2/c1-4-6-10-7-8-11(9(3)13-10)12(14)15-5-2/h7-8H,4-6H2,1-3H3
InChIKeyWEOJOGGMINAUKY-UHFFFAOYSA-N
XLogP2.52
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-methyl-6-propylpyridine-3-carboxylate?
The IUPAC name of ethyl 2-methyl-6-propylpyridine-3-carboxylate (CID 3015957) is ethyl 2-methyl-6-propylpyridine-3-carboxylate.
What is the SMILES notation for ethyl 2-methyl-6-propylpyridine-3-carboxylate?
The canonical SMILES for ethyl 2-methyl-6-propylpyridine-3-carboxylate is CCCc1ccc(C(=O)OCC)c(C)n1.
What is the InChIKey of ethyl 2-methyl-6-propylpyridine-3-carboxylate?
The InChIKey is WEOJOGGMINAUKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-4-6-10-7-8-11(9(3)13-10)12(14)15-5-2/h7-8H,4-6H2,1-3H3.
What are the key properties of ethyl 2-methyl-6-propylpyridine-3-carboxylate?
ethyl 2-methyl-6-propylpyridine-3-carboxylate has a molecular weight of 207.27 g/mol, XLogP of 2.52, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methyl-6-propylpyridine-3-carboxylate is sourced from PubChem (CID 3015957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).