Basic information
- CAS
179408-54-9- Standard SMILES
O=C(O)c1ccc(-c2cccs2)nc1- InChIKey
QYGFXNUFKLRCRB-UHFFFAOYSA-N- Molecular formula
- C10H7NO2S
- Average molar mass
- 205.23 g/mol
- Monoisotopic mass
- 205.01974946
Names & identifiers
- Preferred name
- 6-(Thiophen-2-Yl)Pyridine-3-Carboxylic Acid
- IUPAC
- 6-thiophen-2-ylpyridine-3-carboxylic acid
- English name
- 6-Thien-2-ylnicotinic acid
- Molecular formula
- C10H7NO2S
- Molecular weight
- 205.23
Names & synonyms
179408-54-96-(thiophen-2-yl)pyridine-3-carboxylic acidDTXSID90572524RefChem:539935DTXCID70523296109-024-76-(Thiophen-2-yl)nicotinic acid6-thien-2-ylnicotinic acid6-(2-THIENYL)NICOTINIC ACID6-thiophen-2-ylpyridine-3-carboxylic acidMFCD064103846-(2-thienyl)pyridine-3-carboxylic acid
Show more names
6-(Thiophen-2-yl)-nicotinic acid6-(2-Thienyl)-3-pyridinecarboxylic acid6-(5-Methylthiophen-2-yl)-nicotinic acid
3-Pyridinecarboxylic acid, 6-(2-thienyl)-6-thien-2ylnicotinic acidorb3029900SCHEMBL32008536-thiophen-2-yl-nicotinic acidQYGFXNUFKLRCRB-UHFFFAOYSA-NFr14625SBB093491
Database identifiers
- CAS
179408-54-9- PubChem CID
- 15411144
- DTXSID
DTXSID90572524- EC Number
- 109-024-7
- Nikkaji
- J2.066.859H
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 78.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 222
Physicochemical properties
- Boiling point
- 389.9 · 389.9±32.0 °C(Predicted)
- Density
- 1.368 · 1.368±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 2.22 · 2.22±0.10(Predicted)
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Chemistry & industry
Suppliers16 total
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
TargetMol 中国（陶术生物）400-821-0310 15002144251 · [email protected]
赛默飞世尔科技（中国）有限公司800-810-5118 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 13913916777 · [email protected]
泰州市众致生物科技有限公司[email protected] 15066129350 · [email protected]
上海安米克化学品有限公司微信 17321281695 18019252918 · [email protected]
九鼎化学（上海）科技有限公司4009209199 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
北京汇科盈生物科技有限公司15210661751 · [email protected]
上海逐耀医药科技有限公司18321033991 · [email protected]
天水屹垚化学有限公司0938-0938-8493022 15379872136 · [email protected]
苏州爱玛特生物科技有限公司0512-56316828 400-867-5858;400-867-5858 · [email protected]
苏州诺行贸易有限公司0512-65816829 18662214788 · [email protected]
Alchem Pharmtech,Inc.
Related reactions
12 records
Compound notes
Loading…