4-Bromo-1H-pyrrolo[2,3-c]pyridin-5-amine - CAS 1332837-64-5
Catalog: |
BB061651 |
Product Name: |
4-Bromo-1H-pyrrolo[2,3-c]pyridin-5-amine |
CAS: |
1332837-64-5 |
Synonyms: |
4-bromo-1H-pyrrolo[2,3-c]pyridin-5-amine; 1h-pyrrolo[2,3-c]pyridin-5-amine,4-bromo-; 4-bromo-1H-pyrrolo[2,3-c]pyridin-5-ylamin; 4-bromo-1H-pyrrolo[2,3-c]pyridin-5-ylamine |
IUPAC Name: | 4-bromo-1H-pyrrolo[2,3-c]pyridin-5-amine |
Molecular Weight: | 212.05 |
Molecular Formula: | C7H6BrN3 |
Canonical SMILES: | C1=CNC2=CN=C(C(=C21)Br)N |
InChI: | InChI=1S/C7H6BrN3/c8-6-4-1-2-10-5(4)3-11-7(6)9/h1-3,10H,(H2,9,11) |
InChI Key: | IZDMCCNKFUKBDD-UHFFFAOYSA-N |
References: | An-Hu, L., et al. From PCT Int. Appl. (2011), WO 2011109593 A1 20110909. |
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+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
TW-201940483-A | Inhibitor of tyrosine kinase 2 mediated communication | 20180312 |
US-2012329826-A1 | Substituted-5-aminopyrrolo/pyrazolopyridines | 20100303 |
WO-2011109593-A1 | Substituted-5-aminopyrrolo/pyrazolopyridines | 20100303 |
Complexity: | 153 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 210.97451 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 210.97451 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 54.7Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.3 |
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