1-Chloro-6-methylisoquinoline - CAS 209286-73-7
Catalog: |
BB016442 |
Product Name: |
1-Chloro-6-methylisoquinoline |
CAS: |
209286-73-7 |
Synonyms: |
1-chloro-6-methylisoquinoline; 1-chloro-6-methylisoquinoline |
IUPAC Name: | 1-chloro-6-methylisoquinoline |
Description: | 1-Chloro-6-methylisoquinoline (CAS# 209286-73-7) is a useful reagent for the preparation of 5-membered aminoheterocyclic and 5,6- or 6,6-membered bicyclic aminoheterocyclic inhibitors of ROCK for the treatment of heart failure. |
Molecular Weight: | 177.63 |
Molecular Formula: | C10H8ClN |
Canonical SMILES: | CC1=CC2=C(C=C1)C(=NC=C2)Cl |
InChI: | InChI=1S/C10H8ClN/c1-7-2-3-9-8(6-7)4-5-12-10(9)11/h2-6H,1H3 |
InChI Key: | VBKBNFQWNBALDD-UHFFFAOYSA-N |
Boiling Point: | 304.946 °C at 760 mmHg |
Density: | 1.225 g/cm3 |
Appearance: | Liquid |
LogP: | 3.19660 |
Publication Number | Title | Priority Date |
CN-107428692-A | Substituted single azepine naphthalene derivatives and polyazanaphthlene derivative and application thereof | 20150211 |
TW-201636327-A | Substituted monoazinone derivatives and polyazonaphthalene derivatives and uses thereof | 20150211 |
EP-3233826-A1 | New antibacterial compounds | 20141217 |
JP-2017537938-A | New antibacterial compounds | 20141217 |
US-10369130-B2 | Antibacterial compounds | 20141217 |
Complexity: | 160 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 177.034527 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 177.034527 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 12.9 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.4 |
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