3-Nicotinoyl-7-methoxycoumarin

HCID 21217331
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Basic information

Standard SMILES
COc1ccc2cc(C(=O)c3cccnc3)c(=O)oc2c1
InChIKey
SYOBLTRDLVLPIG-UHFFFAOYSA-N
Molecular formula
C16H11NO4
Average molar mass
281.26 g/mol

Names & identifiers

Preferred name
3-Nicotinoyl-7-methoxycoumarin
IUPAC
7-methoxy-3-(pyridine-3-carbonyl)chromen-2-one

Names & synonyms

SCHEMBL1948673-nicotinoyl-7-methoxycoumarin3-nicotinoyl-7-methoxy coumarinSYOBLTRDLVLPIG-UHFFFAOYSA-N

Database identifiers

PubChem CID
21217331

Properties

Computed structural properties

XLogP
2.4
Topological polar surface area
65.5 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
3
Heavy atoms
21

Related reactions

2 records
New reaction record

Compound notes

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