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

C8H9NO4 — CID 57192241

IUPAC6-methyl-2,5-dihydropyridine-3,5-dicarboxylic acid
SMILESCC1=NCC(C(=O)O)=CC1C(=O)O
InChIInChI=1S/C8H9NO4/c1-4-6(8(12)13)2-5(3-9-4)7(10)11/h2,6H,3H2,1H3,(H,10,11)(H,12,13)
InChIKeyCLINMCGWIATETB-UHFFFAOYSA-N
MW183.16 g/mol
LogP0.17
Rot. Bonds2

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

6-methyl-2,5-dihydropyridine-3,5-dicarboxylic acid (PubChem CID 57192241) has the molecular formula C8H9NO4 and a molecular weight of 183.16 g/mol. Its IUPAC name is 6-methyl-2,5-dihydropyridine-3,5-dicarboxylic acid.

Molecular Properties

Compound Name6-methyl-2,5-dihydropyridine-3,5-dicarboxylic acid
PubChem CID57192241
Molecular FormulaC8H9NO4
Molecular Weight183.16 g/mol
Exact Mass183.05
IUPAC Name6-methyl-2,5-dihydropyridine-3,5-dicarboxylic acid
SMILESCC1=NCC(C(=O)O)=CC1C(=O)O
InChIInChI=1S/C8H9NO4/c1-4-6(8(12)13)2-5(3-9-4)7(10)11/h2,6H,3H2,1H3,(H,10,11)(H,12,13)
InChIKeyCLINMCGWIATETB-UHFFFAOYSA-N
XLogP0.17
TPSA86.96 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.16
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,5-Dihydropyridin-2-yl)but-2-enedioic acid
CID 91267536
2,6-Dimethyl-2,3-dihydropyridine-3,5-dicarboxylic acid
CID 54138683
6-Methyl-2,5-dihydropyridine-3-carboxylic acid
CID 123158547
2,6-Dimethyl-2,3-dihydropyridine-5-carboxylic acid
CID 123580410
3-Methyl-6-propan-2-yl-2,3-dihydropyridine-4-carboxylic acid
CID 166768499
5-propan-2-yl-2H-pyrrole-3-carboxylic acid
CID 157182697
5-(2-methylpropyl)-2H-pyrrole-3-carboxylic acid
CID 157749704

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2,5-dihydropyridine-3,5-dicarboxylic acid?
The IUPAC name of 6-methyl-2,5-dihydropyridine-3,5-dicarboxylic acid (CID 57192241) is 6-methyl-2,5-dihydropyridine-3,5-dicarboxylic acid.
What is the SMILES notation for 6-methyl-2,5-dihydropyridine-3,5-dicarboxylic acid?
The canonical SMILES for 6-methyl-2,5-dihydropyridine-3,5-dicarboxylic acid is CC1=NCC(C(=O)O)=CC1C(=O)O.
What is the InChIKey of 6-methyl-2,5-dihydropyridine-3,5-dicarboxylic acid?
The InChIKey is CLINMCGWIATETB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO4/c1-4-6(8(12)13)2-5(3-9-4)7(10)11/h2,6H,3H2,1H3,(H,10,11)(H,12,13).
What are the key properties of 6-methyl-2,5-dihydropyridine-3,5-dicarboxylic acid?
6-methyl-2,5-dihydropyridine-3,5-dicarboxylic acid has a molecular weight of 183.16 g/mol, XLogP of 0.17, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2,5-dihydropyridine-3,5-dicarboxylic acid is sourced from PubChem (CID 57192241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).