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3-Amino-6-phenyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylic acid

HCID 712459
NotesReactions
Basic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
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Basic information

CAS
104960-56-7
Standard SMILES
Nc1c(C(=O)O)sc2nc(-c3ccccc3)cc(C(F)(F)F)c12
InChIKey
MKXSKSYKJNXBGH-UHFFFAOYSA-N
Molecular formula
C15H9F3N2O2S
Average molar mass
338.31 g/mol
Monoisotopic mass
338.03368319

Names & identifiers

Preferred name
3-Amino-6-phenyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylic acid
IUPAC
3-amino-6-phenyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylic acid
English name
3-Amino-6-phenyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylic acid
Molecular formula
C15H9F3N2O2S
Molecular weight
338.3

Names & synonyms

104960-56-73-amino-6-phenyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylic acidMaybridge3_0062973-amino-6-phenyl-4-(trifluoromethyl)thiopheno[2,3-b]pyridine-2-carboxylic acidThieno[2,3-b]pyridine-2-carboxylicacid, 3-amino-6-phenyl-4-(trifluoromethyl)-MFCD00398797CHEMBL3127616SCHEMBL14955051DTXSID20351889HMS1448O05SBB038299STL323918
Show more names
AKOS USSH-4110658AKOS BBS-00000407RARECHEM AL BO 09303-Amino-6-Phenyl-4-(Trifluoromethyl)-Thieno[2,3-b]Pyridine-23-amino-6-phenyl-4-(trifluoromethyl)-2-thieno[2,3-b]pyridinecarboxylic acidThieno[2,3-b]pyridine-2-carboxylic acid, 3-amino-6-phenyl-4-(trifluoromethyl)-
AKOS000268265AS-9315CCG-247506IDI1_017684DB-040579CS-0314351ST50165628VU0608925-1

Properties

Computed structural properties

XLogP
4.5
Topological polar surface area
104 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
8
Rotatable bonds
2
Heavy atoms
23
Formal charge
0
Complexity
456

Physicochemical properties

Melting point
159 °C · 159 °C
Risk Statements
36 · 36/37/38
Safety Statements
26 · 26-36/37/39
HS Code
2934999090 · 2934999090

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

hs_code
2934999090
risk_code
36/37/38
safety_code
26-36/37/39

Chemistry & industry

Suppliers8 total

上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
Allfluoro Pharmaceutical Company Limited+86-400-0216110 +86-15958047586 · [email protected]
常州合晶化工有限公司85528066 13775048983 · [email protected]
南京世洲生物科技有限公司13675144456 · [email protected]
合肥钼凯医药科技有限公司18130062233 · [email protected]
Capot Chemical Co., Ltd+86 (0) 571 85 58 67 18
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]

Related reactions

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Compound notes

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On this pageBasic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes

Database identifiers

CAS
104960-56-7
PubChem CID
712459
DTXSID
DTXSID20351889
ChEMBL
CHEMBL3127616