Ethyl 4-Chloro-7H-pyrrolo[2,3-d]pyrimidine-6-carboxylate - CAS 187725-00-4
Catalog: |
BB014438 |
Product Name: |
Ethyl 4-Chloro-7H-pyrrolo[2,3-d]pyrimidine-6-carboxylate |
CAS: |
187725-00-4 |
Synonyms: |
4-chloro-7H-pyrrolo[2,3-d]pyrimidine-6-carboxylic acid ethyl ester; ethyl 4-chloro-7H-pyrrolo[2,3-d]pyrimidine-6-carboxylate |
IUPAC Name: | ethyl 4-chloro-7H-pyrrolo[2,3-d]pyrimidine-6-carboxylate |
Description: | Ethyl 4-Chloro-7H-pyrrolo[2,3-d]pyrimidine-6-carboxylate (CAS# 187725-00-4) is a useful research chemical. |
Molecular Weight: | 225.63 |
Molecular Formula: | C9H8ClN3O2 |
Canonical SMILES: | CCOC(=O)C1=CC2=C(N1)N=CN=C2Cl |
InChI: | InChI=1S/C9H8ClN3O2/c1-2-15-9(14)6-3-5-7(10)11-4-12-8(5)13-6/h3-4H,2H2,1H3,(H,11,12,13) |
InChI Key: | BMVGJDTURCUCNP-UHFFFAOYSA-N |
Density: | 1.458 g/cm3 |
MDL: | MFCD09839778 |
LogP: | 1.78800 |
Publication Number | Title | Priority Date |
WO-2020055672-A1 | Fused heterocyclic compounds as ret kinase inhibitors | 20180910 |
EP-3849986-A1 | Fused heterocyclic compounds as ret kinase inhibitors | 20180910 |
TW-201938563-A | Substituted pyrrolo[2,3-D]pyrimidine compounds as RET kinase inhibitors | 20180118 |
WO-2019143977-A1 | Substituted pyrrolo[2,3-d]pyrimidines compounds as ret kinase inhibitors | 20180118 |
EP-3740491-A1 | Substituted pyrrolo[2,3-d]pyrimidines compounds as ret kinase inhibitors | 20180118 |
Complexity: | 252 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 225.0305042 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 225.0305042 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 67.9 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.2 |
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