pyridine-2,4-dicarboxylate

C7H3NO4-2 — CID 6950550

IUPACpyridine-2,4-dicarboxylate
SMILESO=C([O-])c1ccnc(C(=O)[O-])c1
InChIInChI=1S/C7H5NO4/c9-6(10)4-1-2-8-5(3-4)7(11)12/h1-3H,(H,9,10)(H,11,12)/p-2
InChIKeyMJIVRKPEXXHNJT-UHFFFAOYSA-L
MW165.10 g/mol
LogP-2.19
Rot. Bonds2

About pyridine-2,4-dicarboxylate

pyridine-2,4-dicarboxylate (PubChem CID 6950550) has the molecular formula C7H3NO4-2 and a molecular weight of 165.10 g/mol. Its IUPAC name is pyridine-2,4-dicarboxylate.

Molecular Properties

Compound Namepyridine-2,4-dicarboxylate
PubChem CID6950550
Molecular FormulaC7H3NO4-2
Molecular Weight165.10 g/mol
Exact Mass165.01
IUPAC Namepyridine-2,4-dicarboxylate
SMILESO=C([O-])c1ccnc(C(=O)[O-])c1
InChIInChI=1S/C7H5NO4/c9-6(10)4-1-2-8-5(3-4)7(11)12/h1-3H,(H,9,10)(H,11,12)/p-2
InChIKeyMJIVRKPEXXHNJT-UHFFFAOYSA-L
XLogP-2.19
TPSA93.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.10
LogP ≤ 5-2.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of pyridine-2,4-dicarboxylate?
The IUPAC name of pyridine-2,4-dicarboxylate (CID 6950550) is pyridine-2,4-dicarboxylate.
What is the SMILES notation for pyridine-2,4-dicarboxylate?
The canonical SMILES for pyridine-2,4-dicarboxylate is O=C([O-])c1ccnc(C(=O)[O-])c1.
What is the InChIKey of pyridine-2,4-dicarboxylate?
The InChIKey is MJIVRKPEXXHNJT-UHFFFAOYSA-L. The full InChI is InChI=1S/C7H5NO4/c9-6(10)4-1-2-8-5(3-4)7(11)12/h1-3H,(H,9,10)(H,11,12)/p-2.
What are the key properties of pyridine-2,4-dicarboxylate?
pyridine-2,4-dicarboxylate has a molecular weight of 165.10 g/mol, XLogP of -2.19, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for pyridine-2,4-dicarboxylate is sourced from PubChem (CID 6950550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).