3-(Chloromethyl)-9h-pyrido[3,4-b]indole

HCID 20148409
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Basic information

Standard SMILES
ClCc1cc2c(cn1)[nH]c1ccccc12
InChIKey
VHCZZCXMIBIJIN-UHFFFAOYSA-N
Molecular formula
C12H9ClN2
Average molar mass
216.66 g/mol

Names & identifiers

Preferred name
3-(Chloromethyl)-9h-pyrido[3,4-b]indole
IUPAC
3-(chloromethyl)-9H-pyrido[3,4-b]indole

Names & synonyms

3-(Chloromethyl)-9h-pyrido[3,4-b]indole91985-54-53-chloromethyl-beta-carbolineSCHEMBL26891873-(chloromethyl)-beta-carbolineVHCZZCXMIBIJIN-UHFFFAOYSA-NDB-356516

Database identifiers

PubChem CID
20148409

Properties

Computed structural properties

XLogP
3.6
Topological polar surface area
28.7 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
1
Rotatable bonds
1
Heavy atoms
15

Related reactions

5 records
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Compound notes

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