Basic information
- CAS
1211443-58-1- Standard SMILES
O=C(O)c1cc2cnc(Cl)nc2n1C1CCCC1- InChIKey
LXCZVGKSFJMLRO-UHFFFAOYSA-N- Molecular formula
- C12H12ClN3O2
- Average molar mass
- 265.69 g/mol
- Monoisotopic mass
- 265.0618043
Names & identifiers
- Preferred name
- 2-Chloro-7-cyclopentyl-7H-pyrrolo[2,3-d]pyrimidine-6-carboxylic acid
- IUPAC
- 2-chloro-7-cyclopentylpyrrolo[2,3-d]pyrimidine-6-carboxylic acid
- English name
- 2-chloro-7-cyclopentyl-7H-pyrrolo[2,3-d]pyriMidine-6-carboxylic acid
- Molecular formula
- C12H12ClN3O2
- Molecular weight
- 265.7
Names & synonyms
2-chloro-7-cyclopentyl-7H-pyrrolo[2,3-d]pyrimidine-6-carboxylic acid1211443-58-12-Chloro-7-cyclopentyl-7H-pyrrolo(2,3-d)pyrimidine-6-carboxylic acidRefChem:259161MFCD290419892-chloro-7-cyclopentylpyrrolo[2,3-d]pyrimidine-6-carboxylic acidSCHEMBL1991171W68NPW9D59LXCZVGKSFJMLRO-UHFFFAOYSA-NDTXSID601160300CS-B15227H-Pyrrolo[2,3-d]pyrimidine-6-carboxylic acid, 2-chloro-7-cyclopentyl-
Show more names
Ribociclib Impurity 53Ribociclib Intermediate 12-chloro-7-cyclopentyl-7H-pyrrolo[2,3-d]2-Chloro-7-cyclopentyl-7H-pyrrolo[2,3-d]pyrimidine-6-carboxy...
AKOS027335882DS-12514SY237883DB-217250F50771F5196182-chloro-7-cyclopentyl-pyrrolo[2,3-d]pyrimidine-6-carboxylic acid2-chloro-7-cyclopentyl-7H-pyrrolo[2,3-d]pyrimidine-6-carboxylicacid
Database identifiers
- CAS
1211443-58-1- PubChem CID
- 58315427
- DTXSID
DTXSID601160300- UNII
- W68NPW9D59
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 68 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 335
Physicochemical properties
- Density
- 1.61 · 1.61±0.1 g/cm3(Predicted)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- pka
- 3.63 · 3.63±0.30(Predicted)
- Appearance
- White to light yellow Solid
- InChI
- InChI=1S/C12H12ClN3O2/c13-12-14-6-7-5-9(11(17)18)16(10(7)15-12)8-3-1-2-4-8/h5-6,8H,1-4H2,(H,17,18)
- InChIKey
- LXCZVGKSFJMLRO-UHFFFAOYSA-N
- SMILES
- C1(Cl)=NC=C2C=C(C(O)=O)N(C3CCCC3)C2=N1
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H317
- Precautionary statements
- 280 · P280
Safety & regulation
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H317
- Precautionary statements
- P280
Chemistry & industry
Applications
Uses2-chloro-7-cyclopentyl-7H-pyrrolo[2,3-d]pyriMidine-6-carboxylic acid can be used as an intermediate in organic and pharmaceutical synthesis.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]
湖北威德利化学试剂有限公司181-6332-1995 18062128043 · [email protected]
武汉敬康恩生物医药科技有限公司13720134139 086-15871494362 13720134139 · [email protected]
T&W GROUP021-61551611 13296011611 · [email protected]
湖北科乐精细化工有限公司027-59101668 19945030958 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
安庆奇创药业有限公司18061456370
Advanced chemblocks inc650-6922368 650-6922368;650-6922368 · [email protected]
济南德迈医药科技有限公司18669728830 15806766175 · [email protected]
武汉泰易成生化药业有限公司027-88320699 · [email protected]
学研惠（武汉）科技有限公司15727060112 · [email protected]
上海泰坦科技股份有限公司400-6009262 15618770481 · [email protected]
南京药石科技股份有限公司4000255188 · [email protected]
南京晟宣生物科技有限公司025-86189919,025-86189929 13814179829 · [email protected]
苏州岚云医药科技有限公司2332782371 · [email protected]
天津科创医药中间体技术生产力促进有限公司022-60116533 13207668525 · [email protected]
苏州卡普维尔医药科技有限公司0512-0512-88981216 13776013740
金瓯生物医药（南京）有限公司13000000000 · [email protected]
泰州同新生物医药科技有限公司0523-86818997 18652728585 · [email protected]
上海毕得医药科技股份有限公司400-164-7117 18317119277 · [email protected]
成都克莱蒙医药科技有限公司028-87608726 13540107218 · [email protected]
杭州科巢生物科技有限公司0571-89081561; 10006559855
武汉贝乐叶生物医药科技有限公司18086118078 · [email protected]
上海皓元医药股份有限公司021-58950125 · [email protected]
上海昭昀生物科技有限公司19983777532 · [email protected]
武汉沃轩科技有限公司13322067656 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
嘉兴市德亿化工有限公司0573-85866609 13325730825 · [email protected]
Hangzhou Proserre Chemical Co.,Ltd.+86-571-86088112 · [email protected]
上海德轩医药科技有限公司[email protected] · [email protected]
sgtlifesciences pvt ltd+91-8790379245 · [email protected]
陕西缔都医药化工有限公司029-029-81120477 17792793610 · [email protected]
湖北源梦生物科技有限公司027-68897569 18120462897 · [email protected]
淄博百极荣创医药科技有限公司0533-6092686 13371592196 · [email protected]
石家庄康西生物科技有限公司13803336640 · [email protected]
上海华恩医药科技有限公司13681955282
江苏宇田医药有限公司0518-8021621 15062910926 · [email protected]
药渡经纬信息科技(北京)有限公司+86-400-851-9921 · [email protected]
Guangzhou Yuheng Pharmaceutical Technology Co., Ltd+8613580539051 · [email protected]
上海炎泽化工有限公司15345144255 19901447308 · [email protected]
湖北威德利化学试剂有限公司15871722230 · [email protected]
湖北威德利化学试剂有限公司13429867250 13429867250
沧州恩科医药科技有限公司0317-5296180 15533709196 · [email protected]
上海修时生物医药有限公司15002184385 15021598081 15002184385 · [email protected]
成都同创源医药科技有限公司028-83379370 13880556291 · [email protected]
湖北扬信医药科技有限公司15374522761 · [email protected]
河南安基化工科技有限公司17836913271
Related reactions
9 records
Compound notes
Loading…