Methyl 3-bromothieno[3,2-b]pyridine-2-carboxylate
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Basic information
- CAS
1104630-92-3- Standard SMILES
COC(=O)c1sc2cccnc2c1Br- InChIKey
NHXOWJAQHDXTQW-UHFFFAOYSA-N- Molecular formula
- C9H6BrNO2S
- Average molar mass
- 272.12 g/mol
Names & identifiers
- Preferred name
- Methyl 3-bromothieno[3,2-b]pyridine-2-carboxylate
- IUPAC
- methyl 3-bromothieno[3,2-b]pyridine-2-carboxylate
- English name
- 3-Bromo-thieno[3,2-b]pyridine-2-carboxylic acid methyl ester
- Molecular formula
- C9H6BrNO2S
- Molecular weight
- 272.12
Names & synonyms
methyl 3-bromothieno[3,2-b]pyridine-2-carboxylate1104630-92-33-bromo-thieno[3,2-b]pyridine-2-carboxylic acid methyl esterMFCD27952272SCHEMBL1098273AS-78917CS-0183731P19218FT-0747560NHXOWJAQHDXTQW-UHFFFAOYSA-NDA-47870methyl3-bromothieno[3,2-b]pyridine-2-carboxylat
Show more names
Thieno[3,2-b]pyridine-2-carboxylic acid, 3-bromo-, methyl ester
F624862methyl3-bromothieno[3,2-b]pyridine-2-carboxylate
Database identifiers
- CAS
1104630-92-3
Properties
Computed structural propertiesFilling in
- XLogP
- 2.8
- Topological polar surface area
- 67.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 239
Physicochemical properties
- Boiling point
- 371.9 · 371.9±37.0 °C(Predicted)
- Density
- 1.697 · 1.697±0.06 g/cm3(Predicted)
- storage temp.
- 2 · Storage temp. 2-8°C
- pka
- 0.88 · 0.88±0.40(Predicted)
- Appearance
- White to off-white Solid
- 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
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
0 records
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Compound notes
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