6-Bromo-5-methylnicotinonitrile - CAS 374633-37-1
Catalog: |
BB023294 |
Product Name: |
6-Bromo-5-methylnicotinonitrile |
CAS: |
374633-37-1 |
Synonyms: |
6-bromo-5-methyl-3-pyridinecarbonitrile; 6-bromo-5-methylpyridine-3-carbonitrile |
IUPAC Name: | 6-bromo-5-methylpyridine-3-carbonitrile |
Description: | 6-Bromo-5-methylnicotinonitrile (CAS# 374633-37-1) is a useful research chemical. |
Molecular Weight: | 197.03 |
Molecular Formula: | C7H5BrN2 |
Canonical SMILES: | CC1=C(N=CC(=C1)C#N)Br |
InChI: | InChI=1S/C7H5BrN2/c1-5-2-6(3-9)4-10-7(5)8/h2,4H,1H3 |
InChI Key: | JECOSEMUVCECAL-UHFFFAOYSA-N |
Boiling Point: | 291.5 ℃ at 760 mmHg |
Density: | 1.61 g/cm3 |
MDL: | MFCD03095063 |
LogP: | 2.02418 |
Publication Number | Title | Priority Date |
US-2019016685-A1 | 1,3-diaza-spiro-[3.4]-octane derivatives | 20170712 |
US-2019382355-A1 | 1,3-Diaza-Spiro-[3.4]-Octane Derivatives | 20170712 |
US-10738015-B2 | 1,3-diaza-spiro-[3.4]-octane derivatives | 20170712 |
US-2020331864-A1 | 1,3-diaza-spiro-[3.4]-octane derivatives | 20170712 |
EP-3652157-B1 | 1,3-diaza-spiro-[3.4]-octane derivatives | 20170712 |
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 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2 |
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