6-Chloro-1H-pyrrolo[2,3-b]pyridin-2(3H)-one - CAS 220896-14-0
Catalog: |
BB017360 |
Product Name: |
6-Chloro-1H-pyrrolo[2,3-b]pyridin-2(3H)-one |
CAS: |
220896-14-0 |
Synonyms: |
6-chloro-1,3-dihydropyrrolo[2,3-b]pyridin-2-one; 6-chloro-1,3-dihydropyrrolo[2,3-b]pyridin-2-one |
IUPAC Name: | 6-chloro-1,3-dihydropyrrolo[2,3-b]pyridin-2-one |
Description: | 6-Chloro-1H-pyrrolo[2,3-b]pyridin-2(3H)-one (CAS# 220896-14-0) is a useful research chemical. |
Molecular Weight: | 168.58 |
Molecular Formula: | C7H5ClN2O |
Canonical SMILES: | C1C2=C(NC1=O)N=C(C=C2)Cl |
InChI: | InChI=1S/C7H5ClN2O/c8-5-2-1-4-3-6(11)10-7(4)9-5/h1-2H,3H2,(H,9,10,11) |
InChI Key: | UCWFVLDDBLQHPM-UHFFFAOYSA-N |
Boiling Point: | 376.001 ℃ at 760 mmHg |
Density: | 1.45 g/cm3 |
MDL: | MFCD11518940 |
LogP: | 1.36760 |
Publication Number | Title | Priority Date |
AU-2015291478-A1 | Novel substituted pyrimidine compounds | 20140716 |
AU-2015291478-B2 | Novel substituted pyrimidine compounds | 20140716 |
CA-2955070-A1 | Novel substituted pyrimidine compounds | 20140716 |
EP-3169681-A1 | Novel substituted pyrimidine compounds | 20140716 |
EP-3527561-A1 | Novel substituted pyrimidine compounds | 20140716 |
Complexity: | 185 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 168.0090405 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 168.0090405 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 42 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1 |
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