Basic information
- CAS
1208081-19-9- Standard SMILES
O=C(O)C1CCN(c2cc(C(F)(F)F)cc(Cl)n2)CC1- InChIKey
OTVNMAFWDRWJDZ-UHFFFAOYSA-N- Molecular formula
- C12H12ClF3N2O2
- Average molar mass
- 308.68 g/mol
- Monoisotopic mass
- 308.0539398
Names & identifiers
- Preferred name
- 1-(6-Chloro-4-(trifluoromethyl)pyridin-2-yl)piperidine-4-carboxylic acid
- IUPAC
- 1-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxylic acid
- English name
- 6'-Chloro-4'-trifluoromethyl-3,4,5,6-tetrahydro-2 H-[1,2']bipyridinyl-4-carboxylic acid
- Molecular formula
- C12H12ClF3N2O2
- Molecular weight
- 308.68
Names & synonyms
1208081-19-91-(6-Chloro-4-(trifluoromethyl)pyridin-2-yl)piperidine-4-carboxylic acid6'-Chloro-4'-trifluoromethyl-3,4,5,6-tetrahydro-2H-[1,2']bipyridinyl-4-carboxylic acid1-[6-chloro-4-(trifluoromethyl)pyridin-2-yl]piperidine-4-carboxylic acidMFCD151427761-[2-Chloro-4-(trifluoromethyl)pyridin-6-yl]piperidine-4-carboxylic acid6'-Chloro-4'-trifluoromethyl-3,4,5,6-tetrahydro-2 H-[1,2']bipyridinyl-4-carboxylic acidDTXSID501150732AKOS015850292AS-5186CS-0329317G73081
Show more names
F0755301-(6-Chloro-4-(trifluoromethyl)pyridin-2-yl)piperidine-4-carboxylicacid1-[6-Chloro-4-(trifluoromethyl)-2-pyridinyl]-4-piperidinecarboxylic acid1-[6-chloro-4-(trifluoromethyl)-2-pyridyl]piperidine-4-carboxylic acid4-Piperidinecarboxylic acid, 1-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-1-(6-Chloro-4-(trifluoromethyl)pyridin-2-yl)piperidine-4-carboxylic acid - [C93619]
Database identifiers
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 53.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 359
Physicochemical properties
- Boiling point
- 459.8 · 459.8±45.0 °C(Predicted)
- Density
- 1.451 · 1.451±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C, protect from light
- pka
- 4.45 · 4.45±0.20(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
- HazardClass
- IRRITANT
- HS Code
- 2933399990 · 2933399990
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
- 2933399990
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_class
- IRRITANT
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers6 total
台州南峰药物研究所[email protected] 13127117265 · [email protected]
西安峥鎏生物科技有限公司15594552852 · [email protected]
山西诺诚生物科技有限公司17835231871 · [email protected]
合肥钼凯医药科技有限公司18130062233 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
都创（上海）医药科技股份有限公司021-58099077-8041 18601625411 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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