3-(Bromomethyl)pyridine-2-carbonitrile - CAS 116986-13-1
Catalog: |
BB003827 |
Product Name: |
3-(Bromomethyl)pyridine-2-carbonitrile |
CAS: |
116986-13-1 |
Synonyms: |
3-(bromomethyl)-2-pyridinecarbonitrile; 3-(bromomethyl)pyridine-2-carbonitrile |
IUPAC Name: | 3-(bromomethyl)pyridine-2-carbonitrile |
Description: | 3-(Bromomethyl)pyridine-2-carbonitrile (CAS# 116986-13-1) is a useful research chemical compound. |
Molecular Weight: | 197.03 |
Molecular Formula: | C7H5BrN2 |
Canonical SMILES: | C1=CC(=C(N=C1)C#N)CBr |
InChI: | InChI=1S/C7H5BrN2/c8-4-6-2-1-3-10-7(6)5-9/h1-3H,4H2 |
InChI Key: | BSSLVCQAYWTRRC-UHFFFAOYSA-N |
Boiling Point: | 308.2 ℃ at 760 mmHg |
Density: | 1.6 g/cm3 |
Appearance: | Pale brown solid |
MDL: | MFCD09030110 |
LogP: | 1.84818 |
Publication Number | Title | Priority Date |
CN-113164458-A | Monoacylglycerol lipase modulators | 20180928 |
US-10344026-B2 | Compositions and methods of targeting mutant K-ras | 20170118 |
US-2018201610-A1 | Compositions and methods of targeting mutant k-ras | 20170118 |
EP-3555082-A1 | Ether linked triazoles as nrf2 regulators | 20161215 |
JP-2020502152-A | Ether-linked triazoles as NRF2 activators | 20161215 |
Complexity: | 149 |
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: | 1 |
Topological Polar Surface Area: | 36.7 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.5 |
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