5-Bromo-2-cyanopyrimidine - CAS 38275-57-9
Catalog: |
BB023610 |
Product Name: |
5-Bromo-2-cyanopyrimidine |
CAS: |
38275-57-9 |
Synonyms: |
5-bromo-2-pyrimidinecarbonitrile; 5-bromopyrimidine-2-carbonitrile |
IUPAC Name: | 5-bromopyrimidine-2-carbonitrile |
Description: | 5-Bromo-2-cyanopyrimidine (CAS# 38275-57-9) is a useful research chemical. |
Molecular Weight: | 183.99 |
Molecular Formula: | C5H2BrN3 |
Canonical SMILES: | C1=C(C=NC(=N1)C#N)Br |
InChI: | InChI=1S/C5H2BrN3/c6-4-2-8-5(1-7)9-3-4/h2-3H |
InChI Key: | VPQICCOHFSGBMA-UHFFFAOYSA-N |
Boiling Point: | 317.7 °C at 760 mmHg |
Density: | 1.86 g/cm3 |
LogP: | 1.11078 |
GHS Hazard Statement: | H302 (66.67%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021151014-A1 | Pgdh inhibitors and methods of making and using | 20200123 |
CN-113072546-A | Five-membered heteroaromatic derivative and preparation method and application thereof | 20200106 |
WO-2021130259-A1 | Dihydrocyclopenta-isoquinoline-sulfonamide derivatives compounds | 20191223 |
WO-2021018820-A1 | Heteroaryl-substituted pyrazolo-pyridine protein kinase inhibitors for promoting liver regeneration or reducing or preventing hepatocyte death | 20190729 |
WO-2021012018-A1 | Inhibitor compounds | 20190724 |
Complexity: | 130 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 182.94321 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 182.94321 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 49.6 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.9 |
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