2-Amino-7-chloro-5-oxo-5H-[1]benzopyrano[2,3-b]pyridine-3-carbonitrile - CAS 68302-10-3
Catalog: |
BB033517 |
Product Name: |
2-Amino-7-chloro-5-oxo-5H-[1]benzopyrano[2,3-b]pyridine-3-carbonitrile |
CAS: |
68302-10-3 |
Synonyms: |
2-amino-7-chloro-5-oxochromeno[2,3-b]pyridine-3-carbonitrile |
IUPAC Name: | 2-amino-7-chloro-5-oxochromeno[2,3-b]pyridine-3-carbonitrile |
Description: | 2-Amino-7-chloro-5-oxo-5H-[1]benzopyrano[2,3-b]pyridine-3-carbonitrile (CAS# 68302-10-3) is a useful research chemical. |
Molecular Weight: | 271.66 |
Molecular Formula: | C13H6ClN3O2 |
Canonical SMILES: | C1=CC2=C(C=C1Cl)C(=O)C3=C(O2)N=C(C(=C3)C#N)N |
InChI: | InChI=1S/C13H6ClN3O2/c14-7-1-2-10-8(4-7)11(18)9-3-6(5-15)12(16)17-13(9)19-10/h1-4H,(H2,16,17) |
InChI Key: | CRDSZSMHAAGKEY-UHFFFAOYSA-N |
Boiling Point: | 568.7 °C at 760 mmHg |
Density: | 1.62 g/cm3 |
MDL: | MFCD00191728 |
LogP: | 3.02968 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CA-2508780-A1 | Method of using aminocyanopyridine compounds as mitogen activated protein kinase-activated protein kinase-2 inhibitors | 20021212 |
CA-2509249-A1 | Method of making tricyclic aminocyanopyridine compounds | 20021212 |
CA-2509665-A1 | Tricyclic aminocyanopyridine inhibitors of mitogen activated protein kinase-activated protein kinase-2 | 20021212 |
EP-1569645-A2 | Method of using aminocyanopyridine compounds as mitogen activated protein kinase-activated protein kinase-2 inhibitors | 20021212 |
EP-1569938-A1 | Method of making tricyclic aminocyanopyridine compounds | 20021212 |
Complexity: | 435 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 271.0148541 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 271.0148541 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 89 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.8 |
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