2H-pyridine-1,4-dicarboxylic acid

C7H7NO4 — CID 22056460

IUPAC2H-pyridine-1,4-dicarboxylic acid
SMILESO=C(O)C1=CCN(C(=O)O)C=C1
InChIInChI=1S/C7H7NO4/c9-6(10)5-1-3-8(4-2-5)7(11)12/h1-3H,4H2,(H,9,10)(H,11,12)
InChIKeyGVYVBTFBPYRODD-UHFFFAOYSA-N
MW169.14 g/mol
LogP0.50
Rot. Bonds1

About 2H-pyridine-1,4-dicarboxylic acid

2H-pyridine-1,4-dicarboxylic acid (PubChem CID 22056460) has the molecular formula C7H7NO4 and a molecular weight of 169.14 g/mol. Its IUPAC name is 2H-pyridine-1,4-dicarboxylic acid.

Molecular Properties

Compound Name2H-pyridine-1,4-dicarboxylic acid
PubChem CID22056460
Molecular FormulaC7H7NO4
Molecular Weight169.14 g/mol
Exact Mass169.04
IUPAC Name2H-pyridine-1,4-dicarboxylic acid
SMILESO=C(O)C1=CCN(C(=O)O)C=C1
InChIInChI=1S/C7H7NO4/c9-6(10)5-1-3-8(4-2-5)7(11)12/h1-3H,4H2,(H,9,10)(H,11,12)
InChIKeyGVYVBTFBPYRODD-UHFFFAOYSA-N
XLogP0.50
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.14
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2H-pyridine-1,4-dicarboxylic acid?
The IUPAC name of 2H-pyridine-1,4-dicarboxylic acid (CID 22056460) is 2H-pyridine-1,4-dicarboxylic acid.
What is the SMILES notation for 2H-pyridine-1,4-dicarboxylic acid?
The canonical SMILES for 2H-pyridine-1,4-dicarboxylic acid is O=C(O)C1=CCN(C(=O)O)C=C1.
What is the InChIKey of 2H-pyridine-1,4-dicarboxylic acid?
The InChIKey is GVYVBTFBPYRODD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO4/c9-6(10)5-1-3-8(4-2-5)7(11)12/h1-3H,4H2,(H,9,10)(H,11,12).
What are the key properties of 2H-pyridine-1,4-dicarboxylic acid?
2H-pyridine-1,4-dicarboxylic acid has a molecular weight of 169.14 g/mol, XLogP of 0.50, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-pyridine-1,4-dicarboxylic acid is sourced from PubChem (CID 22056460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).