[1]benzofuro[3,2-c]pyridine;(Z)-but-2-enedioic acid

C15H11NO5 — CID 70413591

IUPAC[1]benzofuro[3,2-c]pyridine;(Z)-but-2-enedioic acid
SMILESO=C(O)/C=C\C(=O)O.c1ccc2c(c1)oc1ccncc12
InChIInChI=1S/C11H7NO.C4H4O4/c1-2-4-10-8(3-1)9-7-12-6-5-11(9)13-10;5-3(6)1-2-4(7)8/h1-7H;1-2H,(H,5,6)(H,7,8)/b;2-1-
InChIKeyHHJVGRWZTQNQRH-BTJKTKAUSA-N
MW285.26 g/mol
LogP2.69
Rot. Bonds2

About [1]benzofuro[3,2-c]pyridine;(Z)-but-2-enedioic acid

[1]benzofuro[3,2-c]pyridine;(Z)-but-2-enedioic acid (PubChem CID 70413591) has the molecular formula C15H11NO5 and a molecular weight of 285.26 g/mol. Its IUPAC name is [1]benzofuro[3,2-c]pyridine;(Z)-but-2-enedioic acid.

Molecular Properties

Compound Name[1]benzofuro[3,2-c]pyridine;(Z)-but-2-enedioic acid
PubChem CID70413591
Molecular FormulaC15H11NO5
Molecular Weight285.26 g/mol
Exact Mass285.06
IUPAC Name[1]benzofuro[3,2-c]pyridine;(Z)-but-2-enedioic acid
SMILESO=C(O)/C=C\C(=O)O.c1ccc2c(c1)oc1ccncc12
InChIInChI=1S/C11H7NO.C4H4O4/c1-2-4-10-8(3-1)9-7-12-6-5-11(9)13-10;5-3(6)1-2-4(7)8/h1-7H;1-2H,(H,5,6)(H,7,8)/b;2-1-
InChIKeyHHJVGRWZTQNQRH-BTJKTKAUSA-N
XLogP2.69
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.26
LogP ≤ 52.69
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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Frequently Asked Questions

What is the IUPAC name of [1]benzofuro[3,2-c]pyridine;(Z)-but-2-enedioic acid?
The IUPAC name of [1]benzofuro[3,2-c]pyridine;(Z)-but-2-enedioic acid (CID 70413591) is [1]benzofuro[3,2-c]pyridine;(Z)-but-2-enedioic acid.
What is the SMILES notation for [1]benzofuro[3,2-c]pyridine;(Z)-but-2-enedioic acid?
The canonical SMILES for [1]benzofuro[3,2-c]pyridine;(Z)-but-2-enedioic acid is O=C(O)/C=C\C(=O)O.c1ccc2c(c1)oc1ccncc12.
What is the InChIKey of [1]benzofuro[3,2-c]pyridine;(Z)-but-2-enedioic acid?
The InChIKey is HHJVGRWZTQNQRH-BTJKTKAUSA-N. The full InChI is InChI=1S/C11H7NO.C4H4O4/c1-2-4-10-8(3-1)9-7-12-6-5-11(9)13-10;5-3(6)1-2-4(7)8/h1-7H;1-2H,(H,5,6)(H,7,8)/b;2-1-.
What are the key properties of [1]benzofuro[3,2-c]pyridine;(Z)-but-2-enedioic acid?
[1]benzofuro[3,2-c]pyridine;(Z)-but-2-enedioic acid has a molecular weight of 285.26 g/mol, XLogP of 2.69, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1]benzofuro[3,2-c]pyridine;(Z)-but-2-enedioic acid is sourced from PubChem (CID 70413591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).