6-Chloro-2-methoxynicotinonitrile - CAS 121643-46-7
Catalog: |
BB005230 |
Product Name: |
6-Chloro-2-methoxynicotinonitrile |
CAS: |
121643-46-7 |
Synonyms: |
6-chloro-2-methoxy-3-pyridinecarbonitrile; 6-chloro-2-methoxypyridine-3-carbonitrile |
IUPAC Name: | 6-chloro-2-methoxypyridine-3-carbonitrile |
Description: | 6-Chloro-2-methoxynicotinonitrile (CAS# 121643-46-7) is a useful research chemical. |
Molecular Weight: | 168.58 |
Molecular Formula: | C7H5ClN2O |
Canonical SMILES: | COC1=C(C=CC(=N1)Cl)C#N |
InChI: | InChI=1S/C7H5ClN2O/c1-11-7-5(4-9)2-3-6(8)10-7/h2-3H,1H3 |
InChI Key: | BXDPLINBPHQTHU-UHFFFAOYSA-N |
Storage: | Inert atmosphere, 2-8 ℃ |
LogP: | 1.61528 |
GHS Hazard Statement: | H302 (100%): 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, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
US-2020017471-A1 | Pd-1/pd-l1 inhibitors | 20180713 |
WO-2020014643-A1 | Pd-1/pd-l1 inhibitors | 20180713 |
US-10774071-B2 | PD-1/PD-L1 inhibitors | 20180713 |
AU-2019301811-A1 | PD-1/PD-L1 inhibitors | 20180713 |
BR-112020026746-A2 | COMPOUND, PHARMACEUTICAL COMPOSITION, METHODS TO INHIBIT PD-1, PD-L1 AND / OR THE INTERACTION OF PD-1 / PD-L1 AND TO TREAT CANCER, AND, KIT TO TREAT OR PREVENT CANCER OR A DISEASE OR CONDITION. | 20180713 |
Complexity: | 177 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 168.0090405 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 168.0090405 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 45.9 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.8 |
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