6-(Trifluoromethyl)pyrazine-2-carboxylic Acid - CAS 1060812-74-9
Catalog: |
BB001794 |
Product Name: |
6-(Trifluoromethyl)pyrazine-2-carboxylic Acid |
CAS: |
1060812-74-9 |
Synonyms: |
6-(trifluoromethyl)-2-pyrazinecarboxylic acid; 6-(trifluoromethyl)pyrazine-2-carboxylic acid |
IUPAC Name: | 6-(trifluoromethyl)pyrazine-2-carboxylic acid |
Description: | 6-(Trifluoromethyl)pyrazine-2-carboxylic Acid (CAS# 1060812-74-9) is a useful research chemical. |
Molecular Weight: | 192.10 |
Molecular Formula: | C6H3F3N2O2 |
Canonical SMILES: | C1=C(N=C(C=N1)C(F)(F)F)C(=O)O |
InChI: | InChI=1S/C6H3F3N2O2/c7-6(8,9)4-2-10-1-3(11-4)5(12)13/h1-2H,(H,12,13) |
InChI Key: | XSTQESYINDCIJM-UHFFFAOYSA-N |
Storage: | Sealed in dry, 2-8 °C |
MDL: | MFCD13189474 |
LogP: | 1.19360 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, 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 |
WO-2021127283-A2 | Irak degraders and uses thereof | 20191217 |
WO-2020264499-A1 | Irak degraders and uses thereof | 20190628 |
WO-2020150626-A1 | Imidazo[1,2-a]pyridinyl derivatives as irak4 inhibitors | 20190118 |
CA-2889627-A1 | Pyrazine derivatives | 20121107 |
CN-104768950-A | Pyrazine derivatives | 20121107 |
Complexity: | 207 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 192.01466183 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 7 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 192.01466183 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 63.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.6 |
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