5-bromo-1H,3H-pyrrolo[2,3-b]pyridin-2-one - CAS 183208-34-6
Catalog: |
BB072036 |
Product Name: |
5-bromo-1H,3H-pyrrolo[2,3-b]pyridin-2-one |
CAS: |
183208-34-6 |
Synonyms: |
5-bromo-1H-pyrrolo[2,3-b]pyridin-2(3H)-one; 5-bromo-1,3-dihydro-2H-pyrrolo[2,3-b]pyridin-2-one; 5-BROMO-1H-PYRROLO[2,3-B]PYRIDIN-2-ONE; 5-BROMO-1,3-DIHYDROPYRROLO[2,3-B]PYRIDIN-2-ONE; 5-bromo-1H,2H,3H-pyrrolo[2,3-b]pyridin-2-one; 5-bromo-1H,3H-pyrrolo[2,3-b]pyridin-2-one; 2H-PYRROLO[2,3-B]PYRIDIN-2-ONE, 5-BROMO-1,3-DIHYDRO- |
IUPAC Name: | 5-bromo-1,3-dihydropyrrolo[2,3-b]pyridin-2-one |
Description: | 5-bromo-1H,3H-pyrrolo[2,3-b]pyridin-2-one |
Molecular Weight: | 213.03 |
Molecular Formula: | C7H5BrN2O |
Canonical SMILES: | C1C2=C(NC1=O)N=CC(=C2)Br |
InChI: | InChI=1S/C7H5BrN2O/c8-5-1-4-2-6(11)10-7(4)9-3-5/h1,3H,2H2,(H,9,10,11) |
InChI Key: | DHPKTHROZFIEJK-UHFFFAOYSA-N |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Danger |
Complexity: | 185 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 211.95853 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 211.95853 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 42Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.7 |
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