2-Chloropyridine-5-acetonitrile - CAS 39891-09-3
Catalog: |
BB024182 |
Product Name: |
2-Chloropyridine-5-acetonitrile |
CAS: |
39891-09-3 |
Synonyms: |
2-(6-chloropyridin-3-yl)acetonitrile |
IUPAC Name: | 2-(6-chloropyridin-3-yl)acetonitrile |
Description: | 2-Chloropyridine-5-acetonitrile (CAS# 39891-09-3) is a useful research chemical. |
Molecular Weight: | 152.58 |
Molecular Formula: | C7H5ClN2 |
Canonical SMILES: | C1=CC(=NC=C1CC#N)Cl |
InChI: | InChI=1S/C7H5ClN2/c8-7-2-1-6(3-4-9)5-10-7/h1-2,5H,3H2 |
InChI Key: | BLGUCBUETMYJTB-UHFFFAOYSA-N |
Boiling Point: | 294.1 °C at 760 mmHg |
Melting Point: | 49-54 °C |
Purity: | 98 % |
Density: | 1.262 g/cm3 |
MDL: | MFCD04112495 |
LogP: | 1.80108 |
GHS Hazard Statement: | H301 (99.22%): Toxic if swallowed [Danger Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P310, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
CN-113061098-A | Amide compound and derivative thereof, preparation method, pharmaceutical composition and application | 20210118 |
WO-2021143680-A1 | Heteroaryl derivative, preparation method therefor, and use thereof | 20200116 |
KR-20210081286-A | Novel Amino Aryl Derivatives and Their Use as Inhibitors against Diacylglycerol Acyltransferase 2 | 20191223 |
WO-2021133035-A1 | Novel amino aryl derivative useful as diacylglycerol acyltransferase 2 inhibitor and use thereof | 20191223 |
WO-2021102618-A1 | Novel salts of indoleamine 2,3-dioxygenase inhibitors | 20191125 |
Complexity: | 149 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 152.0141259 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 152.0141259 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 36.7 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.5 |
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