4,6-diethyl-5-(methoxymethyl)pyridine-2,3-dicarboxylic acid

C13H17NO5 — CID 67744946

IUPAC4,6-diethyl-5-(methoxymethyl)pyridine-2,3-dicarboxylic acid
SMILESCCc1nc(C(=O)O)c(C(=O)O)c(CC)c1COC
InChIInChI=1S/C13H17NO5/c1-4-7-8(6-19-3)9(5-2)14-11(13(17)18)10(7)12(15)16/h4-6H2,1-3H3,(H,15,16)(H,17,18)
InChIKeyNRFFOTPUECTNJK-UHFFFAOYSA-N
MW267.28 g/mol
LogP1.75
Rot. Bonds6

About 4,6-diethyl-5-(methoxymethyl)pyridine-2,3-dicarboxylic acid

4,6-diethyl-5-(methoxymethyl)pyridine-2,3-dicarboxylic acid (PubChem CID 67744946) has the molecular formula C13H17NO5 and a molecular weight of 267.28 g/mol. Its IUPAC name is 4,6-diethyl-5-(methoxymethyl)pyridine-2,3-dicarboxylic acid.

Molecular Properties

Compound Name4,6-diethyl-5-(methoxymethyl)pyridine-2,3-dicarboxylic acid
PubChem CID67744946
Molecular FormulaC13H17NO5
Molecular Weight267.28 g/mol
Exact Mass267.11
IUPAC Name4,6-diethyl-5-(methoxymethyl)pyridine-2,3-dicarboxylic acid
SMILESCCc1nc(C(=O)O)c(C(=O)O)c(CC)c1COC
InChIInChI=1S/C13H17NO5/c1-4-7-8(6-19-3)9(5-2)14-11(13(17)18)10(7)12(15)16/h4-6H2,1-3H3,(H,15,16)(H,17,18)
InChIKeyNRFFOTPUECTNJK-UHFFFAOYSA-N
XLogP1.75
TPSA96.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,6-diethyl-5-(methoxymethyl)pyridine-2,3-dicarboxylic acid?
The IUPAC name of 4,6-diethyl-5-(methoxymethyl)pyridine-2,3-dicarboxylic acid (CID 67744946) is 4,6-diethyl-5-(methoxymethyl)pyridine-2,3-dicarboxylic acid.
What is the SMILES notation for 4,6-diethyl-5-(methoxymethyl)pyridine-2,3-dicarboxylic acid?
The canonical SMILES for 4,6-diethyl-5-(methoxymethyl)pyridine-2,3-dicarboxylic acid is CCc1nc(C(=O)O)c(C(=O)O)c(CC)c1COC.
What is the InChIKey of 4,6-diethyl-5-(methoxymethyl)pyridine-2,3-dicarboxylic acid?
The InChIKey is NRFFOTPUECTNJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO5/c1-4-7-8(6-19-3)9(5-2)14-11(13(17)18)10(7)12(15)16/h4-6H2,1-3H3,(H,15,16)(H,17,18).
What are the key properties of 4,6-diethyl-5-(methoxymethyl)pyridine-2,3-dicarboxylic acid?
4,6-diethyl-5-(methoxymethyl)pyridine-2,3-dicarboxylic acid has a molecular weight of 267.28 g/mol, XLogP of 1.75, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-diethyl-5-(methoxymethyl)pyridine-2,3-dicarboxylic acid is sourced from PubChem (CID 67744946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).