pyridine;pyridine-2,4-dicarboxylic acid

C12H10N2O4 — CID 159305579

IUPACpyridine;pyridine-2,4-dicarboxylic acid
SMILESO=C(O)c1ccnc(C(=O)O)c1.c1ccncc1
InChIInChI=1S/C7H5NO4.C5H5N/c9-6(10)4-1-2-8-5(3-4)7(11)12;1-2-4-6-5-3-1/h1-3H,(H,9,10)(H,11,12);1-5H
InChIKeyLBWLDCFFDAQNHH-UHFFFAOYSA-N
MW246.22 g/mol
LogP1.56
Rot. Bonds2

About pyridine;pyridine-2,4-dicarboxylic acid

pyridine;pyridine-2,4-dicarboxylic acid (PubChem CID 159305579) has the molecular formula C12H10N2O4 and a molecular weight of 246.22 g/mol. Its IUPAC name is pyridine;pyridine-2,4-dicarboxylic acid.

Molecular Properties

Compound Namepyridine;pyridine-2,4-dicarboxylic acid
PubChem CID159305579
Molecular FormulaC12H10N2O4
Molecular Weight246.22 g/mol
Exact Mass246.06
IUPAC Namepyridine;pyridine-2,4-dicarboxylic acid
SMILESO=C(O)c1ccnc(C(=O)O)c1.c1ccncc1
InChIInChI=1S/C7H5NO4.C5H5N/c9-6(10)4-1-2-8-5(3-4)7(11)12;1-2-4-6-5-3-1/h1-3H,(H,9,10)(H,11,12);1-5H
InChIKeyLBWLDCFFDAQNHH-UHFFFAOYSA-N
XLogP1.56
TPSA100.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.22
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of pyridine;pyridine-2,4-dicarboxylic acid?
The IUPAC name of pyridine;pyridine-2,4-dicarboxylic acid (CID 159305579) is pyridine;pyridine-2,4-dicarboxylic acid.
What is the SMILES notation for pyridine;pyridine-2,4-dicarboxylic acid?
The canonical SMILES for pyridine;pyridine-2,4-dicarboxylic acid is O=C(O)c1ccnc(C(=O)O)c1.c1ccncc1.
What is the InChIKey of pyridine;pyridine-2,4-dicarboxylic acid?
The InChIKey is LBWLDCFFDAQNHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5NO4.C5H5N/c9-6(10)4-1-2-8-5(3-4)7(11)12;1-2-4-6-5-3-1/h1-3H,(H,9,10)(H,11,12);1-5H.
What are the key properties of pyridine;pyridine-2,4-dicarboxylic acid?
pyridine;pyridine-2,4-dicarboxylic acid has a molecular weight of 246.22 g/mol, XLogP of 1.56, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for pyridine;pyridine-2,4-dicarboxylic acid is sourced from PubChem (CID 159305579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).