3,6-dihydro-2H-pyridine-1,5-dicarboxylic acid

C7H9NO4 — CID 22170126

IUPAC3,6-dihydro-2H-pyridine-1,5-dicarboxylic acid
SMILESO=C(O)C1=CCCN(C(=O)O)C1
InChIInChI=1S/C7H9NO4/c9-6(10)5-2-1-3-8(4-5)7(11)12/h2H,1,3-4H2,(H,9,10)(H,11,12)
InChIKeyWVHFXWNAYHOFON-UHFFFAOYSA-N
MW171.15 g/mol
LogP0.38
Rot. Bonds1

About 3,6-dihydro-2H-pyridine-1,5-dicarboxylic acid

3,6-dihydro-2H-pyridine-1,5-dicarboxylic acid (PubChem CID 22170126) has the molecular formula C7H9NO4 and a molecular weight of 171.15 g/mol. Its IUPAC name is 3,6-dihydro-2H-pyridine-1,5-dicarboxylic acid.

Molecular Properties

Compound Name3,6-dihydro-2H-pyridine-1,5-dicarboxylic acid
PubChem CID22170126
Molecular FormulaC7H9NO4
Molecular Weight171.15 g/mol
Exact Mass171.05
IUPAC Name3,6-dihydro-2H-pyridine-1,5-dicarboxylic acid
SMILESO=C(O)C1=CCCN(C(=O)O)C1
InChIInChI=1S/C7H9NO4/c9-6(10)5-2-1-3-8(4-5)7(11)12/h2H,1,3-4H2,(H,9,10)(H,11,12)
InChIKeyWVHFXWNAYHOFON-UHFFFAOYSA-N
XLogP0.38
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.15
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,6-dihydro-2H-pyridine-1,5-dicarboxylic acid?
The IUPAC name of 3,6-dihydro-2H-pyridine-1,5-dicarboxylic acid (CID 22170126) is 3,6-dihydro-2H-pyridine-1,5-dicarboxylic acid.
What is the SMILES notation for 3,6-dihydro-2H-pyridine-1,5-dicarboxylic acid?
The canonical SMILES for 3,6-dihydro-2H-pyridine-1,5-dicarboxylic acid is O=C(O)C1=CCCN(C(=O)O)C1.
What is the InChIKey of 3,6-dihydro-2H-pyridine-1,5-dicarboxylic acid?
The InChIKey is WVHFXWNAYHOFON-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO4/c9-6(10)5-2-1-3-8(4-5)7(11)12/h2H,1,3-4H2,(H,9,10)(H,11,12).
What are the key properties of 3,6-dihydro-2H-pyridine-1,5-dicarboxylic acid?
3,6-dihydro-2H-pyridine-1,5-dicarboxylic acid has a molecular weight of 171.15 g/mol, XLogP of 0.38, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dihydro-2H-pyridine-1,5-dicarboxylic acid is sourced from PubChem (CID 22170126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).