2-(pyridine-2-carbonyl)-1-benzofuran-5-carbaldehyde

C15H9NO3 — CID 15310183

IUPAC2-(pyridine-2-carbonyl)-1-benzofuran-5-carbaldehyde
SMILESO=Cc1ccc2oc(C(=O)c3ccccn3)cc2c1
InChIInChI=1S/C15H9NO3/c17-9-10-4-5-13-11(7-10)8-14(19-13)15(18)12-3-1-2-6-16-12/h1-9H
InChIKeyLCMKTBJGMPHGOD-UHFFFAOYSA-N
MW251.24 g/mol
LogP2.87
Rot. Bonds3

About 2-(pyridine-2-carbonyl)-1-benzofuran-5-carbaldehyde

2-(pyridine-2-carbonyl)-1-benzofuran-5-carbaldehyde (PubChem CID 15310183) has the molecular formula C15H9NO3 and a molecular weight of 251.24 g/mol. Its IUPAC name is 2-(pyridine-2-carbonyl)-1-benzofuran-5-carbaldehyde.

Molecular Properties

Compound Name2-(pyridine-2-carbonyl)-1-benzofuran-5-carbaldehyde
PubChem CID15310183
Molecular FormulaC15H9NO3
Molecular Weight251.24 g/mol
Exact Mass251.06
IUPAC Name2-(pyridine-2-carbonyl)-1-benzofuran-5-carbaldehyde
SMILESO=Cc1ccc2oc(C(=O)c3ccccn3)cc2c1
InChIInChI=1S/C15H9NO3/c17-9-10-4-5-13-11(7-10)8-14(19-13)15(18)12-3-1-2-6-16-12/h1-9H
InChIKeyLCMKTBJGMPHGOD-UHFFFAOYSA-N
XLogP2.87
TPSA60.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.24
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(1-benzothiophene-2-carbonyl)-1-benzofuran-5-carbaldehyde
CID 15310182
2-(3,4,5-trihydroxybenzoyl)-1-benzofuran-5-carbaldehyde
CID 171662158
dipyridin-2-ylmethanone;4-phenylbenzaldehyde
CID 87196974
2-pyridin-2-yl-1,3-benzoxazole-5-carbaldehyde
CID 82158867
1-benzofuran-2,5-dicarbaldehyde
CID 18349269
(5-fluoro-1-benzofuran-2-yl)-(1,3-thiazol-4-yl)methanone
CID 114725837
(5-methyl-1-benzofuran-2-yl)-(1,3-thiazol-4-yl)methanone
CID 114725833
2-(pyridine-2-carbonyl)pyridine-3-carbaldehyde
CID 144804032
1-benzofuran-2-yl-(5-hydroxy-1-benzofuran-2-yl)methanone
CID 58035506
1-(1-benzofuran-2-yl)-3-pyrimidin-2-ylpropane-1,3-dione
CID 114552679
(5-fluoro-1-benzofuran-2-yl)-(2-methyl-3-pyridinyl)methanone
CID 105132409
pyrimidin-2-ylmethyl 5-amino-1-benzofuran-2-carboxylate
CID 62700525

Frequently Asked Questions

What is the IUPAC name of 2-(pyridine-2-carbonyl)-1-benzofuran-5-carbaldehyde?
The IUPAC name of 2-(pyridine-2-carbonyl)-1-benzofuran-5-carbaldehyde (CID 15310183) is 2-(pyridine-2-carbonyl)-1-benzofuran-5-carbaldehyde.
What is the SMILES notation for 2-(pyridine-2-carbonyl)-1-benzofuran-5-carbaldehyde?
The canonical SMILES for 2-(pyridine-2-carbonyl)-1-benzofuran-5-carbaldehyde is O=Cc1ccc2oc(C(=O)c3ccccn3)cc2c1.
What is the InChIKey of 2-(pyridine-2-carbonyl)-1-benzofuran-5-carbaldehyde?
The InChIKey is LCMKTBJGMPHGOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9NO3/c17-9-10-4-5-13-11(7-10)8-14(19-13)15(18)12-3-1-2-6-16-12/h1-9H.
What are the key properties of 2-(pyridine-2-carbonyl)-1-benzofuran-5-carbaldehyde?
2-(pyridine-2-carbonyl)-1-benzofuran-5-carbaldehyde has a molecular weight of 251.24 g/mol, XLogP of 2.87, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pyridine-2-carbonyl)-1-benzofuran-5-carbaldehyde is sourced from PubChem (CID 15310183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).