1,2-dihydropyridine-5-carboxylic acid;6-oxo-1H-pyridine-3-carboxylic acid

C12H12N2O5 — CID 159035845

IUPAC1,2-dihydropyridine-5-carboxylic acid;6-oxo-1H-pyridine-3-carboxylic acid
SMILESO=C(O)C1=CNCC=C1.O=C(O)c1ccc(=O)[nH]c1
InChIInChI=1S/C6H5NO3.C6H7NO2/c8-5-2-1-4(3-7-5)6(9)10;8-6(9)5-2-1-3-7-4-5/h1-3H,(H,7,8)(H,9,10);1-2,4,7H,3H2,(H,8,9)
InChIKeyJVLHDNHFQXSXRY-UHFFFAOYSA-N
MW264.24 g/mol
LogP0.19
Rot. Bonds2

About 1,2-dihydropyridine-5-carboxylic acid;6-oxo-1H-pyridine-3-carboxylic acid

1,2-dihydropyridine-5-carboxylic acid;6-oxo-1H-pyridine-3-carboxylic acid (PubChem CID 159035845) has the molecular formula C12H12N2O5 and a molecular weight of 264.24 g/mol. Its IUPAC name is 1,2-dihydropyridine-5-carboxylic acid;6-oxo-1H-pyridine-3-carboxylic acid.

Molecular Properties

Compound Name1,2-dihydropyridine-5-carboxylic acid;6-oxo-1H-pyridine-3-carboxylic acid
PubChem CID159035845
Molecular FormulaC12H12N2O5
Molecular Weight264.24 g/mol
Exact Mass264.07
IUPAC Name1,2-dihydropyridine-5-carboxylic acid;6-oxo-1H-pyridine-3-carboxylic acid
SMILESO=C(O)C1=CNCC=C1.O=C(O)c1ccc(=O)[nH]c1
InChIInChI=1S/C6H5NO3.C6H7NO2/c8-5-2-1-4(3-7-5)6(9)10;8-6(9)5-2-1-3-7-4-5/h1-3H,(H,7,8)(H,9,10);1-2,4,7H,3H2,(H,8,9)
InChIKeyJVLHDNHFQXSXRY-UHFFFAOYSA-N
XLogP0.19
TPSA119.49 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.24
LogP ≤ 50.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,2-dihydropyridine-5-carboxylic acid;6-oxo-1H-pyridine-3-carboxylic acid?
The IUPAC name of 1,2-dihydropyridine-5-carboxylic acid;6-oxo-1H-pyridine-3-carboxylic acid (CID 159035845) is 1,2-dihydropyridine-5-carboxylic acid;6-oxo-1H-pyridine-3-carboxylic acid.
What is the SMILES notation for 1,2-dihydropyridine-5-carboxylic acid;6-oxo-1H-pyridine-3-carboxylic acid?
The canonical SMILES for 1,2-dihydropyridine-5-carboxylic acid;6-oxo-1H-pyridine-3-carboxylic acid is O=C(O)C1=CNCC=C1.O=C(O)c1ccc(=O)[nH]c1.
What is the InChIKey of 1,2-dihydropyridine-5-carboxylic acid;6-oxo-1H-pyridine-3-carboxylic acid?
The InChIKey is JVLHDNHFQXSXRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5NO3.C6H7NO2/c8-5-2-1-4(3-7-5)6(9)10;8-6(9)5-2-1-3-7-4-5/h1-3H,(H,7,8)(H,9,10);1-2,4,7H,3H2,(H,8,9).
What are the key properties of 1,2-dihydropyridine-5-carboxylic acid;6-oxo-1H-pyridine-3-carboxylic acid?
1,2-dihydropyridine-5-carboxylic acid;6-oxo-1H-pyridine-3-carboxylic acid has a molecular weight of 264.24 g/mol, XLogP of 0.19, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dihydropyridine-5-carboxylic acid;6-oxo-1H-pyridine-3-carboxylic acid is sourced from PubChem (CID 159035845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).