5-Bromo-2-cyano-3-methylpyridine - CAS 156072-86-5
Catalog: |
BB011198 |
Product Name: |
5-Bromo-2-cyano-3-methylpyridine |
CAS: |
156072-86-5 |
Synonyms: |
5-bromo-3-methyl-2-pyridinecarbonitrile; 5-bromo-3-methylpyridine-2-carbonitrile |
IUPAC Name: | 5-bromo-3-methylpyridine-2-carbonitrile |
Description: | 5-Bromo-2-cyano-3-methylpyridine (CAS# 156072-86-5) is a useful research chemical. |
Molecular Weight: | 197.03 |
Molecular Formula: | C7H5BrN2 |
Canonical SMILES: | CC1=CC(=CN=C1C#N)Br |
InChI: | InChI=1S/C7H5BrN2/c1-5-2-6(8)4-10-7(5)3-9/h2,4H,1H3 |
InChI Key: | YPCLLVYLWXIIBW-UHFFFAOYSA-N |
Boiling Point: | 283.6 ℃ at 760 mmHg |
Density: | 1.61 g/cm3 |
LogP: | 2.02418 |
GHS Hazard Statement: | H302 (100%): 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-2021147940-A1 | Pd-1/pd-l1 inhibitor, preparation method therefor, and use thereof | 20200121 |
WO-2020108579-A1 | Amino-substituted pyridone derivative, preparation method therefor, and pharmaceutical use thereof | 20181128 |
CN-111712490-A | Amino-substituted pyridone derivatives, preparation method and medical application thereof | 20181128 |
WO-2020037079-A1 | Substituted indoles and methods of use thereof | 20180814 |
CN-112585119-A | Substituted indoles and methods of use thereof | 20180814 |
Complexity: | 160 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 195.96361 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 195.96361 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 36.7 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2 |
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