4-phenacylfuro[3,2-c]pyridine-2-carbaldehyde

C16H11NO3 — CID 149307550

IUPAC4-phenacylfuro[3,2-c]pyridine-2-carbaldehyde
SMILESO=Cc1cc2c(CC(=O)c3ccccc3)nccc2o1
InChIInChI=1S/C16H11NO3/c18-10-12-8-13-14(17-7-6-16(13)20-12)9-15(19)11-4-2-1-3-5-11/h1-8,10H,9H2
InChIKeyXXYXMAYKVSLZRF-UHFFFAOYSA-N
MW265.27 g/mol
LogP3.07
Rot. Bonds4

About 4-phenacylfuro[3,2-c]pyridine-2-carbaldehyde

4-phenacylfuro[3,2-c]pyridine-2-carbaldehyde (PubChem CID 149307550) has the molecular formula C16H11NO3 and a molecular weight of 265.27 g/mol. Its IUPAC name is 4-phenacylfuro[3,2-c]pyridine-2-carbaldehyde.

Molecular Properties

Compound Name4-phenacylfuro[3,2-c]pyridine-2-carbaldehyde
PubChem CID149307550
Molecular FormulaC16H11NO3
Molecular Weight265.27 g/mol
Exact Mass265.07
IUPAC Name4-phenacylfuro[3,2-c]pyridine-2-carbaldehyde
SMILESO=Cc1cc2c(CC(=O)c3ccccc3)nccc2o1
InChIInChI=1S/C16H11NO3/c18-10-12-8-13-14(17-7-6-16(13)20-12)9-15(19)11-4-2-1-3-5-11/h1-8,10H,9H2
InChIKeyXXYXMAYKVSLZRF-UHFFFAOYSA-N
XLogP3.07
TPSA60.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 53.07
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-(3-amino-2-pyridinyl)-1-phenylethanone
CID 90333679
5-isocyano-6-methyl-4-(4-phenacylfuro[3,2-c]pyridin-2-yl)-2-(trifluoromethyl)-1,4-dihydropyridine-3-carbonitrile
CID 158896473
1-[4-(dimethylamino)phenyl]-2-isoquinolin-1-ylethanone
CID 11529405
N-(2-phenacyl-3-pyridinyl)acetamide;hydrochloride
CID 172746297
1-phenyl-2-pyridin-2-ylethanone;hydrochloride
CID 22758250
3-benzo[e][1]benzofuran-2-ylprop-2-enoic acid
CID 86165631
1-(4-methylphenyl)-2-phenanthridin-6-ylethanone
CID 11616575
1,3-bis(5-phenacylfuran-2-yl)propan-2-one
CID 57381075
2-(1,2,4-oxadiazol-5-yl)-1-phenylethanone
CID 130707408
1-(9H-fluoren-2-yl)-2-isoquinolin-1-ylethanone
CID 53443148
2-(6-chloro-3-phenacylquinoxalin-2-yl)-1-phenylethanone
CID 5064209
1-dibenzofuran-2-yl-2-phenylethanone
CID 15691957

Frequently Asked Questions

What is the IUPAC name of 4-phenacylfuro[3,2-c]pyridine-2-carbaldehyde?
The IUPAC name of 4-phenacylfuro[3,2-c]pyridine-2-carbaldehyde (CID 149307550) is 4-phenacylfuro[3,2-c]pyridine-2-carbaldehyde.
What is the SMILES notation for 4-phenacylfuro[3,2-c]pyridine-2-carbaldehyde?
The canonical SMILES for 4-phenacylfuro[3,2-c]pyridine-2-carbaldehyde is O=Cc1cc2c(CC(=O)c3ccccc3)nccc2o1.
What is the InChIKey of 4-phenacylfuro[3,2-c]pyridine-2-carbaldehyde?
The InChIKey is XXYXMAYKVSLZRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11NO3/c18-10-12-8-13-14(17-7-6-16(13)20-12)9-15(19)11-4-2-1-3-5-11/h1-8,10H,9H2.
What are the key properties of 4-phenacylfuro[3,2-c]pyridine-2-carbaldehyde?
4-phenacylfuro[3,2-c]pyridine-2-carbaldehyde has a molecular weight of 265.27 g/mol, XLogP of 3.07, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenacylfuro[3,2-c]pyridine-2-carbaldehyde is sourced from PubChem (CID 149307550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).