2-(2-Chloro-3-pyridyl)acetonitrile - CAS 101012-32-2
Catalog: |
BB000418 |
Product Name: |
2-(2-Chloro-3-pyridyl)acetonitrile |
CAS: |
101012-32-2 |
Synonyms: |
2-(2-chloro-3-pyridinyl)acetonitrile; 2-(2-chloropyridin-3-yl)acetonitrile |
IUPAC Name: | 2-(2-chloropyridin-3-yl)acetonitrile |
Description: | 2-(2-Chloro-3-pyridyl)acetonitrile (CAS# 101012-32-2) is a useful reagent in the preparation of spirocyclic oxindole analog(spiro[piperidine-4,3'-pyrrolo[2,3-b]pyridin]-2'(1'H)-one) with anti-tumor properties. |
Molecular Weight: | 152.58 |
Molecular Formula: | C7H5ClN2 |
Canonical SMILES: | C1=CC(=C(N=C1)Cl)CC#N |
InChI: | InChI=1S/C7H5ClN2/c8-7-6(3-4-9)2-1-5-10-7/h1-2,5H,3H2 |
InChI Key: | DMWOJKQPJYWCCB-UHFFFAOYSA-N |
Boiling Point: | 294.1 ℃ at 760 mmHg |
Density: | 1.262 g/cm3 |
MDL: | MFCD09923767 |
LogP: | 1.80108 |
GHS Hazard Statement: | H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P310, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
WO-2020106303-A1 | Aryl-aniline and heteroaryl-aniline compounds for treatment of skin cancers | 20181120 |
WO-2020106304-A1 | Topical formulations | 20181120 |
WO-2020106307-A1 | Aryl-aniline and heteroaryl-aniline compounds for treatment of birthmarks | 20181120 |
EP-3883553-A1 | Aryl-aniline and heteroaryl-aniline compounds for treatment of skin cancers | 20181120 |
EP-3883554-A1 | Aryl-aniline and heteroaryl-aniline compounds for treatment of birthmarks | 20181120 |
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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