butanedioic acid;bis(pyridine)

C14H16N2O4 — CID 155388203

IUPACbutanedioic acid;bis(pyridine)
SMILESO=C(O)CCC(=O)O.c1ccncc1.c1ccncc1
InChIInChI=1S/2C5H5N.C4H6O4/c2*1-2-4-6-5-3-1;5-3(6)1-2-4(7)8/h2*1-5H;1-2H2,(H,5,6)(H,7,8)
InChIKeyIPOITFLAMBHFAV-UHFFFAOYSA-N
MW276.29 g/mol
LogP2.10
Rot. Bonds3

About butanedioic acid;bis(pyridine)

butanedioic acid;bis(pyridine) (PubChem CID 155388203) has the molecular formula C14H16N2O4 and a molecular weight of 276.29 g/mol. Its IUPAC name is butanedioic acid;bis(pyridine).

Molecular Properties

Compound Namebutanedioic acid;bis(pyridine)
PubChem CID155388203
Molecular FormulaC14H16N2O4
Molecular Weight276.29 g/mol
Exact Mass276.11
IUPAC Namebutanedioic acid;bis(pyridine)
SMILESO=C(O)CCC(=O)O.c1ccncc1.c1ccncc1
InChIInChI=1S/2C5H5N.C4H6O4/c2*1-2-4-6-5-3-1;5-3(6)1-2-4(7)8/h2*1-5H;1-2H2,(H,5,6)(H,7,8)
InChIKeyIPOITFLAMBHFAV-UHFFFAOYSA-N
XLogP2.10
TPSA100.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of butanedioic acid;bis(pyridine)?
The IUPAC name of butanedioic acid;bis(pyridine) (CID 155388203) is butanedioic acid;bis(pyridine).
What is the SMILES notation for butanedioic acid;bis(pyridine)?
The canonical SMILES for butanedioic acid;bis(pyridine) is O=C(O)CCC(=O)O.c1ccncc1.c1ccncc1.
What is the InChIKey of butanedioic acid;bis(pyridine)?
The InChIKey is IPOITFLAMBHFAV-UHFFFAOYSA-N. The full InChI is InChI=1S/2C5H5N.C4H6O4/c2*1-2-4-6-5-3-1;5-3(6)1-2-4(7)8/h2*1-5H;1-2H2,(H,5,6)(H,7,8).
What are the key properties of butanedioic acid;bis(pyridine)?
butanedioic acid;bis(pyridine) has a molecular weight of 276.29 g/mol, XLogP of 2.10, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butanedioic acid;bis(pyridine) is sourced from PubChem (CID 155388203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).