pyridine-2,3-dicarboxylic acid;quinoline

C16H12N2O4 — CID 158705620

IUPACpyridine-2,3-dicarboxylic acid;quinoline
SMILESO=C(O)c1cccnc1C(=O)O.c1ccc2ncccc2c1
InChIInChI=1S/C9H7N.C7H5NO4/c1-2-6-9-8(4-1)5-3-7-10-9;9-6(10)4-2-1-3-8-5(4)7(11)12/h1-7H;1-3H,(H,9,10)(H,11,12)
InChIKeyIIBPBCYJMSVQDI-UHFFFAOYSA-N
MW296.28 g/mol
LogP2.71
Rot. Bonds2

About pyridine-2,3-dicarboxylic acid;quinoline

pyridine-2,3-dicarboxylic acid;quinoline (PubChem CID 158705620) has the molecular formula C16H12N2O4 and a molecular weight of 296.28 g/mol. Its IUPAC name is pyridine-2,3-dicarboxylic acid;quinoline.

Molecular Properties

Compound Namepyridine-2,3-dicarboxylic acid;quinoline
PubChem CID158705620
Molecular FormulaC16H12N2O4
Molecular Weight296.28 g/mol
Exact Mass296.08
IUPAC Namepyridine-2,3-dicarboxylic acid;quinoline
SMILESO=C(O)c1cccnc1C(=O)O.c1ccc2ncccc2c1
InChIInChI=1S/C9H7N.C7H5NO4/c1-2-6-9-8(4-1)5-3-7-10-9;9-6(10)4-2-1-3-8-5(4)7(11)12/h1-7H;1-3H,(H,9,10)(H,11,12)
InChIKeyIIBPBCYJMSVQDI-UHFFFAOYSA-N
XLogP2.71
TPSA100.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.28
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

pyridine-2,3-dicarboxylic acid
CID 1066
pyridine-2,3-dicarboxylic acid;hydrofluoride
CID 159031685
pyridine-2,3-dicarboxylic acid;dihydrochloride
CID 66831313
carbonic acid;quinoline
CID 23206844
acetic acid;quinoline
CID 67159702
CID 174778702
CID 174778702
sodium;copper;hydride;phosphorous acid;pyridine-2,3-dicarboxylic acid
CID 175504102
quinoline
CID 76974643
2,2-dichloroacetic acid;quinoline
CID 173189076
2-methoxycarbonylpyridine-3-carboxylic acid;pyridine-2,3-dicarboxylic acid
CID 141229427
hydron;quinoline
CID 131854096
CID 159709187
CID 159709187

Frequently Asked Questions

What is the IUPAC name of pyridine-2,3-dicarboxylic acid;quinoline?
The IUPAC name of pyridine-2,3-dicarboxylic acid;quinoline (CID 158705620) is pyridine-2,3-dicarboxylic acid;quinoline.
What is the SMILES notation for pyridine-2,3-dicarboxylic acid;quinoline?
The canonical SMILES for pyridine-2,3-dicarboxylic acid;quinoline is O=C(O)c1cccnc1C(=O)O.c1ccc2ncccc2c1.
What is the InChIKey of pyridine-2,3-dicarboxylic acid;quinoline?
The InChIKey is IIBPBCYJMSVQDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N.C7H5NO4/c1-2-6-9-8(4-1)5-3-7-10-9;9-6(10)4-2-1-3-8-5(4)7(11)12/h1-7H;1-3H,(H,9,10)(H,11,12).
What are the key properties of pyridine-2,3-dicarboxylic acid;quinoline?
pyridine-2,3-dicarboxylic acid;quinoline has a molecular weight of 296.28 g/mol, XLogP of 2.71, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for pyridine-2,3-dicarboxylic acid;quinoline is sourced from PubChem (CID 158705620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).