3-Amino-7-(2-chlorophenyl)-6-oxo-6,7-dihydrothieno[2,3-b]pyridine-2-carbonitrile

HCID 66970528
NotesReactions
Substructure searchFind similar structures

Basic information

Standard SMILES
N#Cc1sc2c(ccc(=O)n2-c2ccccc2Cl)c1N
InChIKey
XBPSUNVKGWMYJQ-UHFFFAOYSA-N
Molecular formula
C14H8ClN3OS
Average molar mass
301.8 g/mol

Names & identifiers

Preferred name
3-Amino-7-(2-chlorophenyl)-6-oxo-6,7-dihydrothieno[2,3-b]pyridine-2-carbonitrile
IUPAC
3-amino-7-(2-chlorophenyl)-6-oxothieno[2,3-b]pyridine-2-carbonitrile

Names & synonyms

SCHEMBL1265636XBPSUNVKGWMYJQ-UHFFFAOYSA-N3-Amino-7-(2-chlorophenyl)-6-oxo-6,7-dihydrothieno[2,3-b]pyridine-2-carbonitrile

Database identifiers

PubChem CID
66970528

Properties

Computed structural properties

XLogP
3.6
Topological polar surface area
98.4 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
1
Heavy atoms
20

Related reactions

6 records
New reaction record

Compound notes

Loading…