Benzo[b]thiophene-2-carboxamide, 3-chloro-N-3-pyridinyl-
Basic information
- CAS
65469-40-1- Standard SMILES
O=C(Nc1cccnc1)c1sc2ccccc2c1Cl- InChIKey
FZFPWIOHQCXEFW-UHFFFAOYSA-N- Molecular formula
- C14H9ClN2OS
- Average molar mass
- 288.8 g/mol
- Monoisotopic mass
- 288.0124118
Names & identifiers
- Preferred name
- Benzo[b]thiophene-2-carboxamide, 3-chloro-N-3-pyridinyl-
- IUPAC
- 3-chloro-N-pyridin-3-yl-1-benzothiophene-2-carboxamide
- English name
- Benzo[b]thiophene-2-carboxamide, 3-chloro-N-3-pyridinyl-
- Molecular formula
- C14H9ClN2OS
- Molecular weight
- 288.75
Names & synonyms
65469-40-1Benzo[b]thiophene-2-carboxamide, 3-chloro-N-3-pyridinyl-3-chloro-N-(pyridin-3-yl)-1-benzothiophene-2-carboxamideOprea1_260507Oprea1_445129SCHEMBL23353332SCHEMBL29865482DTXSID30356426STL363020AKOS000577162SR-01000412357SR-01000412357-1
Show more names
3-Chloro-N-3-pyridinylbenzo[b]thiophene-2-carboxamide
Z624860003-chloro-N-(3-pyridinyl)-1-benzothiophene-2-carboxamide3-chloro-N-pyridin-3-yl-benzo[b]thiophene-2-carboxamide3-Chloro-N-(pyridin-3-yl)benzo[b]thiophene-2-carboxamide
Database identifiers
- CAS
65469-40-1- PubChem CID
- 824079
- DTXSID
DTXSID30356426
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 70.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 341
Physicochemical properties
- Boiling point
- 404.2 · 404.2±35.0 °C(Predicted)
- Density
- 1.465 · 1.465±0.06 g/cm3(Predicted)
- pka
- 10.97 · 10.97±0.70(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…