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

C21H15NO5 — CID 70413487

IUPAC(Z)-but-2-enedioic acid;1-phenyl-[1]benzofuro[3,2-c]pyridine
SMILESO=C(O)/C=C\C(=O)O.c1ccc(-c2nccc3oc4ccccc4c23)cc1
InChIInChI=1S/C17H11NO.C4H4O4/c1-2-6-12(7-3-1)17-16-13-8-4-5-9-14(13)19-15(16)10-11-18-17;5-3(6)1-2-4(7)8/h1-11H;1-2H,(H,5,6)(H,7,8)/b;2-1-
InChIKeyHZXBXKOXNNXNES-BTJKTKAUSA-N
MW361.35 g/mol
LogP4.36
Rot. Bonds3

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

(Z)-but-2-enedioic acid;1-phenyl-[1]benzofuro[3,2-c]pyridine (PubChem CID 70413487) has the molecular formula C21H15NO5 and a molecular weight of 361.35 g/mol. Its IUPAC name is (Z)-but-2-enedioic acid;1-phenyl-[1]benzofuro[3,2-c]pyridine.

Molecular Properties

Compound Name(Z)-but-2-enedioic acid;1-phenyl-[1]benzofuro[3,2-c]pyridine
PubChem CID70413487
Molecular FormulaC21H15NO5
Molecular Weight361.35 g/mol
Exact Mass361.10
IUPAC Name(Z)-but-2-enedioic acid;1-phenyl-[1]benzofuro[3,2-c]pyridine
SMILESO=C(O)/C=C\C(=O)O.c1ccc(-c2nccc3oc4ccccc4c23)cc1
InChIInChI=1S/C17H11NO.C4H4O4/c1-2-6-12(7-3-1)17-16-13-8-4-5-9-14(13)19-15(16)10-11-18-17;5-3(6)1-2-4(7)8/h1-11H;1-2H,(H,5,6)(H,7,8)/b;2-1-
InChIKeyHZXBXKOXNNXNES-BTJKTKAUSA-N
XLogP4.36
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.35
LogP ≤ 54.36
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

[1]benzofuro[3,2-c]pyridine;(Z)-but-2-enedioic acid
CID 70413591
1-[1-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]isoquinolin-3-yl]-[1]benzofuro[3,2-c]pyridine
CID 168746067
N-[4-([1]benzofuro[3,2-c]pyridin-1-yl)phenyl]-N-(4-phenylphenyl)chrysen-6-amine
CID 168737787
iridium;bis(1-(1H-naphthalen-1-id-2-yl)-[1]benzofuro[3,2-c]pyridine);pyridine-2-carboxylic acid
CID 176724016
1-[4-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]-3-(4-phenylphenyl)phenyl]-[1]benzofuro[3,2-c]pyridine
CID 153458604
1-[7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinolin-2-yl]-[1]benzofuro[3,2-c]pyridine
CID 168746500
1-benzo[h]quinolin-2-yl-[1]benzofuro[3,2-c]pyridine
CID 168746413
[2-([1]benzofuro[3,2-c]pyridin-1-yl)benzene-3-id-1-yl]-trimethylsilane;iridium
CID 155619347
1-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]-[1]benzofuro[2,3-c]pyridine
CID 88857589
1-dibenzofuran-1-yl-2-phenylimidazole
CID 58400945
5-dibenzofuran-1-yl-4,6-diphenyltriazine
CID 175810934
acetic acid;ethane;3-phenyl-1,2-benzoxazole
CID 143217944

Frequently Asked Questions

What is the IUPAC name of (Z)-but-2-enedioic acid;1-phenyl-[1]benzofuro[3,2-c]pyridine?
The IUPAC name of (Z)-but-2-enedioic acid;1-phenyl-[1]benzofuro[3,2-c]pyridine (CID 70413487) is (Z)-but-2-enedioic acid;1-phenyl-[1]benzofuro[3,2-c]pyridine.
What is the SMILES notation for (Z)-but-2-enedioic acid;1-phenyl-[1]benzofuro[3,2-c]pyridine?
The canonical SMILES for (Z)-but-2-enedioic acid;1-phenyl-[1]benzofuro[3,2-c]pyridine is O=C(O)/C=C\C(=O)O.c1ccc(-c2nccc3oc4ccccc4c23)cc1.
What is the InChIKey of (Z)-but-2-enedioic acid;1-phenyl-[1]benzofuro[3,2-c]pyridine?
The InChIKey is HZXBXKOXNNXNES-BTJKTKAUSA-N. The full InChI is InChI=1S/C17H11NO.C4H4O4/c1-2-6-12(7-3-1)17-16-13-8-4-5-9-14(13)19-15(16)10-11-18-17;5-3(6)1-2-4(7)8/h1-11H;1-2H,(H,5,6)(H,7,8)/b;2-1-.
What are the key properties of (Z)-but-2-enedioic acid;1-phenyl-[1]benzofuro[3,2-c]pyridine?
(Z)-but-2-enedioic acid;1-phenyl-[1]benzofuro[3,2-c]pyridine has a molecular weight of 361.35 g/mol, XLogP of 4.36, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-but-2-enedioic acid;1-phenyl-[1]benzofuro[3,2-c]pyridine is sourced from PubChem (CID 70413487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).