3-chloro-5-oxo-5H-benzo[4,5]cyclohepta[1,2-b]pyridine-7-carbaldehyde

HCID 57722892
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Basic information

Standard SMILES
O=Cc1ccc2ccc3ncc(Cl)cc3c(=O)c2c1
InChIKey
SWTATIFNFIGCOP-UHFFFAOYSA-N
Molecular formula
C15H8ClNO2
Average molar mass
269.68 g/mol

Names & identifiers

Preferred name
3-chloro-5-oxo-5H-benzo[4,5]cyclohepta[1,2-b]pyridine-7-carbaldehyde
IUPAC
5-chloro-2-oxo-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene-14-carbaldehyde

Names & synonyms

SCHEMBL2328832SWTATIFNFIGCOP-UHFFFAOYSA-N3-chloro-5-oxo-5H-benzo[4,5]cyclohepta[1,2-b]pyridine-7-carbaldehyde

Database identifiers

PubChem CID
57722892

Properties

Computed structural properties

XLogP
2.9
Topological polar surface area
47 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
1
Heavy atoms
19

Related reactions

5 records
New reaction record

Compound notes

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