but-2-enedioic acid;bis(pyridine)

C14H14N2O4 — CID 173055227

IUPACbut-2-enedioic acid;bis(pyridine)
SMILESO=C(O)C=CC(=O)O.c1ccncc1.c1ccncc1
InChIInChI=1S/2C5H5N.C4H4O4/c2*1-2-4-6-5-3-1;5-3(6)1-2-4(7)8/h2*1-5H;1-2H,(H,5,6)(H,7,8)
InChIKeyCIXMBWIEWDRNON-UHFFFAOYSA-N
MW274.28 g/mol
LogP1.88
Rot. Bonds2

About but-2-enedioic acid;bis(pyridine)

but-2-enedioic acid;bis(pyridine) (PubChem CID 173055227) has the molecular formula C14H14N2O4 and a molecular weight of 274.28 g/mol. Its IUPAC name is but-2-enedioic acid;bis(pyridine).

Molecular Properties

Compound Namebut-2-enedioic acid;bis(pyridine)
PubChem CID173055227
Molecular FormulaC14H14N2O4
Molecular Weight274.28 g/mol
Exact Mass274.10
IUPAC Namebut-2-enedioic acid;bis(pyridine)
SMILESO=C(O)C=CC(=O)O.c1ccncc1.c1ccncc1
InChIInChI=1S/2C5H5N.C4H4O4/c2*1-2-4-6-5-3-1;5-3(6)1-2-4(7)8/h2*1-5H;1-2H,(H,5,6)(H,7,8)
InChIKeyCIXMBWIEWDRNON-UHFFFAOYSA-N
XLogP1.88
TPSA100.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

acetic acid;ethane;pyridine
CID 91392032
acetic acid;bis(pyridine);hydrate
CID 67804829
azepin-4-one;(Z)-but-2-enedioic acid
CID 162312331
formic acid;bis(pyridine)
CID 158008580
pyridine
CID 67755510
1,5-diazecine
CID 53440348
pyridine
CID 160878650
bis(pyridine);urea;hydrofluoride
CID 174564586
(E)-but-2-enedioic acid;2-pyridin-2-ylpyridine
CID 139063802
butanedioic acid;bis(pyridine)
CID 155388203
acetyl bromide;pyridine
CID 87730061
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CID 173188950

Frequently Asked Questions

What is the IUPAC name of but-2-enedioic acid;bis(pyridine)?
The IUPAC name of but-2-enedioic acid;bis(pyridine) (CID 173055227) is but-2-enedioic acid;bis(pyridine).
What is the SMILES notation for but-2-enedioic acid;bis(pyridine)?
The canonical SMILES for but-2-enedioic acid;bis(pyridine) is O=C(O)C=CC(=O)O.c1ccncc1.c1ccncc1.
What is the InChIKey of but-2-enedioic acid;bis(pyridine)?
The InChIKey is CIXMBWIEWDRNON-UHFFFAOYSA-N. The full InChI is InChI=1S/2C5H5N.C4H4O4/c2*1-2-4-6-5-3-1;5-3(6)1-2-4(7)8/h2*1-5H;1-2H,(H,5,6)(H,7,8).
What are the key properties of but-2-enedioic acid;bis(pyridine)?
but-2-enedioic acid;bis(pyridine) has a molecular weight of 274.28 g/mol, XLogP of 1.88, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for but-2-enedioic acid;bis(pyridine) is sourced from PubChem (CID 173055227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).