Basic information
- CAS
916160-41-3- Standard SMILES
COc1nc(C(F)(F)F)ccc1C(=O)O- InChIKey
MEZVYCJJQKEVJZ-UHFFFAOYSA-N- Molecular formula
- C8H6F3NO3
- Average molar mass
- 221.13 g/mol
- Monoisotopic mass
- 221.02997771
Names & identifiers
- Preferred name
- 2-Methoxy-6-(trifluoromethyl)nicotinic acid
- IUPAC
- 2-methoxy-6-(trifluoromethyl)pyridine-3-carboxylic acid
- English name
- 2-Methoxy-6-trifluoroMethyl-nicotinic acid
- Molecular formula
- C8H6F3NO3
- Molecular weight
- 221.13
Names & synonyms
2-methoxy-6-(trifluoromethyl)nicotinic acid916160-41-32-methoxy-6-(trifluoromethyl)pyridine-3-carboxylic acidMFCD106962132-Methoxy-6-trifluoroMethyl-nicotinic acidSCHEMBL3541953SCHEMBL30640906DTXSID807387782-METHOXY-6-(TRIFLUOROMETHYL)-3-PYRIDINECARBOXYLIC ACIDRLB16041AKOS017554121AB56767
Show more names
3-Pyridinecarboxylic acid, 2-methoxy-6-(trifluoromethyl)-
SY2355242-methoxy-6-(trifluoromethyl)nicotinicacidDB-330435CS-0319116F722717
Database identifiers
- CAS
916160-41-3- PubChem CID
- 68683035
- DTXSID
DTXSID80738778
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 59.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 244
Physicochemical properties
- Boiling point
- 266.5 · 266.5±40.0 °C(Predicted)
- Density
- 1.448 · 1.448±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 2.85 · 2.85±0.10(Predicted)
Chemistry & industry
Suppliers28 total
韶远科技(上海)有限公司4000665055 · [email protected]
杭州鸿喜生物医药科技有限公司18989489206 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
安徽合诺生物科技有限公司0555-2761852
宁波亿诺化学品有限公司86-574-27787657 · [email protected]
艾琪康医药科技（上海）有限公司13661411401 · [email protected]
苏州亚衍医药科技有限公司17715136450 · [email protected]
重庆福腾医药有限公司18696571988 · [email protected]
上海洪创医药科技有限公司18151128828 · [email protected]
西安新诺化学科技有限公司15332490153 · [email protected]
Guangzhou Yuheng Pharmaceutical Technology Co., Ltd+8613580539051 · [email protected]
天津星瀚生物科技有限公司13230698506 18698089028 · [email protected]
常州合晶化工有限公司85528066 13775048983 · [email protected]
上海书亚医药科技有限公司400-685-9117 · [email protected]
Related reactions
6 records
Compound notes
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