2,6-dimethyl-2,3-dihydropyridine-3,5-dicarboxylic acid

C9H11NO4 — CID 54138683

IUPAC2,6-dimethyl-2,3-dihydropyridine-3,5-dicarboxylic acid
SMILESCC1=NC(C)C(C(=O)O)C=C1C(=O)O
InChIInChI=1S/C9H11NO4/c1-4-6(8(11)12)3-7(9(13)14)5(2)10-4/h3-4,6H,1-2H3,(H,11,12)(H,13,14)
InChIKeyNZNSSHROWYVYSL-UHFFFAOYSA-N
MW197.19 g/mol
LogP0.56
Rot. Bonds2

About 2,6-dimethyl-2,3-dihydropyridine-3,5-dicarboxylic acid

2,6-dimethyl-2,3-dihydropyridine-3,5-dicarboxylic acid (PubChem CID 54138683) has the molecular formula C9H11NO4 and a molecular weight of 197.19 g/mol. Its IUPAC name is 2,6-dimethyl-2,3-dihydropyridine-3,5-dicarboxylic acid.

Molecular Properties

Compound Name2,6-dimethyl-2,3-dihydropyridine-3,5-dicarboxylic acid
PubChem CID54138683
Molecular FormulaC9H11NO4
Molecular Weight197.19 g/mol
Exact Mass197.07
IUPAC Name2,6-dimethyl-2,3-dihydropyridine-3,5-dicarboxylic acid
SMILESCC1=NC(C)C(C(=O)O)C=C1C(=O)O
InChIInChI=1S/C9H11NO4/c1-4-6(8(11)12)3-7(9(13)14)5(2)10-4/h3-4,6H,1-2H3,(H,11,12)(H,13,14)
InChIKeyNZNSSHROWYVYSL-UHFFFAOYSA-N
XLogP0.56
TPSA86.96 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.19
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-2,3-dihydropyridine-3,5-dicarboxylic acid?
The IUPAC name of 2,6-dimethyl-2,3-dihydropyridine-3,5-dicarboxylic acid (CID 54138683) is 2,6-dimethyl-2,3-dihydropyridine-3,5-dicarboxylic acid.
What is the SMILES notation for 2,6-dimethyl-2,3-dihydropyridine-3,5-dicarboxylic acid?
The canonical SMILES for 2,6-dimethyl-2,3-dihydropyridine-3,5-dicarboxylic acid is CC1=NC(C)C(C(=O)O)C=C1C(=O)O.
What is the InChIKey of 2,6-dimethyl-2,3-dihydropyridine-3,5-dicarboxylic acid?
The InChIKey is NZNSSHROWYVYSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO4/c1-4-6(8(11)12)3-7(9(13)14)5(2)10-4/h3-4,6H,1-2H3,(H,11,12)(H,13,14).
What are the key properties of 2,6-dimethyl-2,3-dihydropyridine-3,5-dicarboxylic acid?
2,6-dimethyl-2,3-dihydropyridine-3,5-dicarboxylic acid has a molecular weight of 197.19 g/mol, XLogP of 0.56, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-2,3-dihydropyridine-3,5-dicarboxylic acid is sourced from PubChem (CID 54138683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).