formic acid;quinoline-2,3-dicarboxylic acid

C12H9NO6 — CID 174725095

IUPACformic acid;quinoline-2,3-dicarboxylic acid
SMILESO=C(O)c1cc2ccccc2nc1C(=O)O.O=CO
InChIInChI=1S/C11H7NO4.CH2O2/c13-10(14)7-5-6-3-1-2-4-8(6)12-9(7)11(15)16;2-1-3/h1-5H,(H,13,14)(H,15,16);1H,(H,2,3)
InChIKeyUGYOVYKJGZRGFU-UHFFFAOYSA-N
MW263.20 g/mol
LogP1.33
Rot. Bonds2

About formic acid;quinoline-2,3-dicarboxylic acid

formic acid;quinoline-2,3-dicarboxylic acid (PubChem CID 174725095) has the molecular formula C12H9NO6 and a molecular weight of 263.20 g/mol. Its IUPAC name is formic acid;quinoline-2,3-dicarboxylic acid.

Molecular Properties

Compound Nameformic acid;quinoline-2,3-dicarboxylic acid
PubChem CID174725095
Molecular FormulaC12H9NO6
Molecular Weight263.20 g/mol
Exact Mass263.04
IUPAC Nameformic acid;quinoline-2,3-dicarboxylic acid
SMILESO=C(O)c1cc2ccccc2nc1C(=O)O.O=CO
InChIInChI=1S/C11H7NO4.CH2O2/c13-10(14)7-5-6-3-1-2-4-8(6)12-9(7)11(15)16;2-1-3/h1-5H,(H,13,14)(H,15,16);1H,(H,2,3)
InChIKeyUGYOVYKJGZRGFU-UHFFFAOYSA-N
XLogP1.33
TPSA124.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.20
LogP ≤ 51.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2-ethenylquinoline-3-carboxylic acid
CID 70491701
pyridine-2,3,5,6-tetracarboxylic acid
CID 2305107
(E)-2-[2-[(E)-1,2-dicarboxyethenyl]quinolin-3-yl]but-2-enedioic acid
CID 150385292
formic acid;phthalic acid
CID 159829564
2-[cyclopropyl(methyl)amino]quinoline-3-carboxylic acid
CID 43265115
2-(2-bromoethyl)quinoline-3-carboxylic acid
CID 175581209
3-(triazol-2-yl)quinoline-2-carboxylic acid
CID 90411394
iridium;phenanthridine-6-carboxylic acid
CID 59015465
2-piperazin-1-ylquinoline-3-carboxylic acid
CID 19763543
3-benzoylquinoline-2-carbaldehyde;ethane;methane
CID 159716405
2-(4-pyrimidin-2-ylpiperazin-1-yl)quinoline-3-carboxylic acid
CID 140976987
formic acid;naphthalene
CID 137353924

Frequently Asked Questions

What is the IUPAC name of formic acid;quinoline-2,3-dicarboxylic acid?
The IUPAC name of formic acid;quinoline-2,3-dicarboxylic acid (CID 174725095) is formic acid;quinoline-2,3-dicarboxylic acid.
What is the SMILES notation for formic acid;quinoline-2,3-dicarboxylic acid?
The canonical SMILES for formic acid;quinoline-2,3-dicarboxylic acid is O=C(O)c1cc2ccccc2nc1C(=O)O.O=CO.
What is the InChIKey of formic acid;quinoline-2,3-dicarboxylic acid?
The InChIKey is UGYOVYKJGZRGFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7NO4.CH2O2/c13-10(14)7-5-6-3-1-2-4-8(6)12-9(7)11(15)16;2-1-3/h1-5H,(H,13,14)(H,15,16);1H,(H,2,3).
What are the key properties of formic acid;quinoline-2,3-dicarboxylic acid?
formic acid;quinoline-2,3-dicarboxylic acid has a molecular weight of 263.20 g/mol, XLogP of 1.33, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;quinoline-2,3-dicarboxylic acid is sourced from PubChem (CID 174725095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).