3-Amino-5-methylpyridine-2-carbonitrile - CAS 1001635-30-8
Catalog: |
BB000113 |
Product Name: |
3-Amino-5-methylpyridine-2-carbonitrile |
CAS: |
1001635-30-8 |
Synonyms: |
3-amino-5-methyl-2-pyridinecarbonitrile; 3-amino-5-methylpyridine-2-carbonitrile |
IUPAC Name: | 3-amino-5-methylpyridine-2-carbonitrile |
Description: | 3-Amino-5-methylpyridine-2-carbonitrile (CAS# 1001635-30-8) is a versatile reactant used in the preparation of new series of orally bioavailable chemokine receptor 9 (CCR9) antagonists with potential use for treatment of inflammatory bowel disease. |
Molecular Weight: | 133.15 |
Molecular Formula: | C7H7N3 |
Canonical SMILES: | CC1=CC(=C(N=C1)C#N)N |
InChI: | InChI=1S/C7H7N3/c1-5-2-6(9)7(3-8)10-4-5/h2,4H,9H2,1H3 |
InChI Key: | KTVNTMJPGTZBRH-UHFFFAOYSA-N |
Appearance: | Crystal |
Storage: | Keep in dark place, Sealed in dry, 2-8 °C |
LogP: | 1.42508 |
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 |
WO-2021147974-A1 | Novel heterocyclic compounds useful as aurora a selective inhibitors | 20200122 |
US-2021017170-A1 | Processes for preparing toll-like receptor modulator compounds | 20190628 |
CA-3064484-A1 | Ion channel inhibitor compounds for cancer treatment | 20170523 |
EP-3630759-A1 | Ion channel inhibitor compounds for cancer treatment | 20170523 |
FR-3066761-A1 | NOVEL IONIC CHANNEL INHIBITOR COMPOUNDS | 20170523 |
Complexity: | 158 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 133.063997236 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 133.063997236 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 62.7 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.1 |
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