3,5-Dimethylpyridine-2-carbonitrile - CAS 7584-09-0
Catalog: |
BB035413 |
Product Name: |
3,5-Dimethylpyridine-2-carbonitrile |
CAS: |
7584-09-0 |
Synonyms: |
3,5-dimethylpyridine-2-carbonitrile |
IUPAC Name: | 3,5-dimethylpyridine-2-carbonitrile |
Description: | 3,5-Dimethylpyridine-2-carbonitrile (CAS# 7584-09-0) is a useful research chemical. |
Molecular Weight: | 132.16 |
Molecular Formula: | C8H8N2 |
Canonical SMILES: | CC1=CC(=C(N=C1)C#N)C |
InChI: | InChI=1S/C8H8N2/c1-6-3-7(2)8(4-9)10-5-6/h3,5H,1-2H3 |
InChI Key: | MYBGPKXHLYUSQF-UHFFFAOYSA-N |
LogP: | 1.57008 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P280, P301+P312, P305+P351+P338, P310, P330, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
EP-3604326-A1 | Peptide compound and method for producing same, composition for screening use, and method for selecting peptide compound | 20170321 |
US-2020040039-A1 | Peptide compound and method for producing same, composition for screening use, and method for selecting peptide compound | 20170321 |
AU-2018225556-A1 | Chemokine CXCR4 receptor modulators and uses related thereto | 20170221 |
CA-3057071-A1 | Chemokine cxcr4 receptor modulators and uses related thereto | 20170221 |
CN-110545814-A | Chemokine CXCR4 receptor modulators and uses related thereto | 20170221 |
Complexity: | 156 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 132.068748264 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 132.068748264 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 36.7 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.6 |
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