2-Acetyl-5-bromopyrimidine - CAS 1189169-37-6
Catalog: |
BB004341 |
Product Name: |
2-Acetyl-5-bromopyrimidine |
CAS: |
1189169-37-6 |
Synonyms: |
1-(5-bromo-2-pyrimidinyl)ethanone; 1-(5-bromopyrimidin-2-yl)ethanone |
IUPAC Name: | 1-(5-bromopyrimidin-2-yl)ethanone |
Description: | 2-Acetyl-5-bromopyrimidine (CAS# 1189169-37-6) is a useful research chemical. |
Molecular Weight: | 201.02 |
Molecular Formula: | C6H5BrN2O |
Canonical SMILES: | CC(=O)C1=NC=C(C=N1)Br |
InChI: | InChI=1S/C6H5BrN2O/c1-4(10)6-8-2-5(7)3-9-6/h2-3H,1H3 |
InChI Key: | NZGSEUQFYKCKRU-UHFFFAOYSA-N |
LogP: | 1.44170 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021133831-A1 | Compositions for use for the inhibition of dihydroorotate dehydrogenase | 20191226 |
US-2020206233-A1 | Heterocyclic compounds as mutant idh inhibitors | 20181231 |
WO-2020141439-A1 | Heterocyclic compounds as mutant idh inhibitors | 20181231 |
WO-2020041301-A1 | Pharmaceutical compounds for the treatment of complement factor d medical disorders | 20180820 |
EP-3841086-A1 | Pharmaceutical compounds for the treatment of complement factor d medical disorders | 20180820 |
Complexity: | 132 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 199.95853 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 199.95853 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 42.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.9 |
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