Basic information
- CAS
2173193-93-4- Standard SMILES
N#Cc1ccc2c(-c3nc(Cl)ncc3C(F)(F)F)c[nH]c2c1Br- InChIKey
APLTXWFPBXKHHJ-UHFFFAOYSA-N- Molecular formula
- C14H5BrClF3N4
- Average molar mass
- 401.57 g/mol
Names & identifiers
- Preferred name
- 7-Bromo-3-(2-chloro-5-(trifluoromethyl)pyrimidin-4-yl)-1H-indole-6-carbonitrile
- IUPAC
- 7-bromo-3-[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]-1H-indole-6-carbonitrile
- English name
- 1H-Indole-6-carbonitrile, 7-bromo-3-[2-chloro-5-(trifluoromethyl)-4-pyrimidinyl]-
- Molecular formula
- C14H5BrClF3N4
- Molecular weight
- 401.57
Names & synonyms
2173193-93-47-Bromo-3-(2-chloro-5-(trifluoromethyl)pyrimidin-4-yl)-1H-indole-6-carbonitrile1H-INDOLE-6-CARBONITRILE, 7-BROMO-3-[2-CHLORO-5-(TRIFLUOROMETHYL)-4-PYRIMIDINYL]-7-bromo-3-[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]-1H-indole-6-carbonitrileC14H5BrClF3N4SCHEMBL22076269APLTXWFPBXKHHJ-UHFFFAOYSA-NMFCD34474016DB-170224CS-0173376G886177-Bromo-3-[2-chloro-5-(trifluoromethyl)-4-pyrimidinyl]-1H-indole-6-carbonitrile
Database identifiers
- CAS
2173193-93-4
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 65.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 1
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 496
Physicochemical properties
- Boiling point
- 626.3 · 626.3±55.0 °C(Predicted)
- Density
- 1.87 · 1.87±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C, sealed storage, away from moisture and light
- pka
- 10.94 · 10.94±0.30(Predicted)
- Appearance
- Off-white to light brown Solid
Chemistry & industry
Suppliers9 total
武汉誉祥医药科技有限公司13971275651 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
浙江雅辰药物科技股份有限公司13674959855 13674959855 · [email protected]
江苏艾康生物医药研发有限公司025-5885952 15955137747 · [email protected]
Shanxi Tihondan Pharmaceutical Technology Co., Ltd+8618235132063 · [email protected]
苏州键合化学试剂有限公司0512-69561983 13914027025 · [email protected]
成都沸柏医药科技有限公司028-84641798 18782128315 · [email protected]
苏州美诺医药科技有限公司0512-69561983 13914027025 · [email protected]
Nanjing Moldeep Biochemical Co., Ltd.+86-25-58282389 +86-17351037455 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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