propanedioic acid;bis(pyridine)

C13H14N2O4 — CID 173188950

IUPACpropanedioic acid;bis(pyridine)
SMILESO=C(O)CC(=O)O.c1ccncc1.c1ccncc1
InChIInChI=1S/2C5H5N.C3H4O4/c2*1-2-4-6-5-3-1;4-2(5)1-3(6)7/h2*1-5H;1H2,(H,4,5)(H,6,7)
InChIKeySLPFHSGPWJCPNE-UHFFFAOYSA-N
MW262.27 g/mol
LogP1.71
Rot. Bonds2

About propanedioic acid;bis(pyridine)

propanedioic acid;bis(pyridine) (PubChem CID 173188950) has the molecular formula C13H14N2O4 and a molecular weight of 262.27 g/mol. Its IUPAC name is propanedioic acid;bis(pyridine).

Molecular Properties

Compound Namepropanedioic acid;bis(pyridine)
PubChem CID173188950
Molecular FormulaC13H14N2O4
Molecular Weight262.27 g/mol
Exact Mass262.10
IUPAC Namepropanedioic acid;bis(pyridine)
SMILESO=C(O)CC(=O)O.c1ccncc1.c1ccncc1
InChIInChI=1S/2C5H5N.C3H4O4/c2*1-2-4-6-5-3-1;4-2(5)1-3(6)7/h2*1-5H;1H2,(H,4,5)(H,6,7)
InChIKeySLPFHSGPWJCPNE-UHFFFAOYSA-N
XLogP1.71
TPSA100.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

butanedioic acid;bis(pyridine)
CID 155388203
carboxymethyl(trimethyl)azanium;pyridine
CID 173162206
calcium;propanedioic acid;dichloride
CID 172710665
methanol;propanedioic acid
CID 87156965
1,5-diazecine
CID 53440348
pyridine
CID 67755510
pyridine
CID 160878650
acetic acid;bis(pyridine);hydrate
CID 67804829
acetic acid;ethane;pyridine
CID 91392032
bis(pyridine);urea;hydrofluoride
CID 174564586
propanedioic acid;pyridin-3-ol
CID 73057441
ethane-1,2-diol;bis(pyridine)
CID 69106853

Frequently Asked Questions

What is the IUPAC name of propanedioic acid;bis(pyridine)?
The IUPAC name of propanedioic acid;bis(pyridine) (CID 173188950) is propanedioic acid;bis(pyridine).
What is the SMILES notation for propanedioic acid;bis(pyridine)?
The canonical SMILES for propanedioic acid;bis(pyridine) is O=C(O)CC(=O)O.c1ccncc1.c1ccncc1.
What is the InChIKey of propanedioic acid;bis(pyridine)?
The InChIKey is SLPFHSGPWJCPNE-UHFFFAOYSA-N. The full InChI is InChI=1S/2C5H5N.C3H4O4/c2*1-2-4-6-5-3-1;4-2(5)1-3(6)7/h2*1-5H;1H2,(H,4,5)(H,6,7).
What are the key properties of propanedioic acid;bis(pyridine)?
propanedioic acid;bis(pyridine) has a molecular weight of 262.27 g/mol, XLogP of 1.71, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propanedioic acid;bis(pyridine) is sourced from PubChem (CID 173188950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).