2-Chloro-4-pyridinecarbonitrile - CAS 33252-30-1
Catalog: |
BB021634 |
Product Name: |
2-Chloro-4-pyridinecarbonitrile |
CAS: |
33252-30-1 |
Synonyms: |
2-chloropyridine-4-carbonitrile |
IUPAC Name: | 2-chloropyridine-4-carbonitrile |
Description: | 2-Chloro-4-pyridinecarbonitrile (CAS# 33252-30-1) is an intermediate used to prepare pyrrolopyridine inhibitors of mitogen-activated protein kinase-activated protein kinase 2 (MK-2). It is also used to synthesize pyridinyl-tetrazoles as scaffold to identify matrix MMP-13 inhibitors for treatment of osteoarthritis. |
Molecular Weight: | 138.55 |
Molecular Formula: | C6H3ClN2 |
Canonical SMILES: | C1=CN=C(C=C1C#N)Cl |
InChI: | InChI=1S/C6H3ClN2/c7-6-3-5(4-8)1-2-9-6/h1-3H |
InChI Key: | QRXBTPFMCTXCRD-UHFFFAOYSA-N |
Boiling Point: | 218.9 °C at 760 mmHg 104-106 °C 15mm |
Melting Point: | 71 °C |
Purity: | 98 % |
Density: | 1.33 g/cm3 |
Appearance: | Solid |
MDL: | MFCD00174318 |
LogP: | 1.60668 |
GHS Hazard Statement: | H302 (13.46%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-113307765-A | Pyridine methylamine compound and preparation method thereof | 20210524 |
CN-214345544-U | Filler absorption tower | 20201229 |
CN-214371644-U | Stirring mechanism and single-cone vacuum dryer | 20201229 |
CN-214371821-U | Condenser | 20201225 |
CN-214371832-U | Condenser | 20201225 |
PMID | Publication Date | Title | Journal |
16995662 | 20060929 | Practical formal total syntheses of the homocamptothecin derivative and anticancer agent diflomotecan via asymmetric acetate aldol additions to pyridine ketone substrates | The Journal of organic chemistry |
16872227 | 20060804 | First total synthesis of louisianin A | The Journal of organic chemistry |
14758763 | 20031101 | Synthetic methodology utilized to prepare substituted imidazole p38 MAP kinase inhibitors | Current opinion in drug discovery & development |
Complexity: | 137 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 137.9984758 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 137.9984758 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 36.7 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.5 |
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