6-(Difluoromethyl)-2-pyridinecarboxylic Acid - CAS 1256824-41-5
Catalog: |
BB067805 |
Product Name: |
6-(Difluoromethyl)-2-pyridinecarboxylic Acid |
CAS: |
1256824-41-5 |
Synonyms: |
6-(DIFLUOROMETHYL)PYRIDINE-2-CARBOXYLIC ACID; 6-(DIFLUOROMETHYL)PICOLINIC ACID; 6-(difluoromethyl)-2-pyridinecarboxylic acid |
IUPAC Name: | 6-(difluoromethyl)pyridine-2-carboxylic acid |
Description: | 6-(Difluoromethyl)-2-pyridinecarboxylic Acid is used in the synthesis of IDH2 inhibitors in the treatment of cancer. This compound is suitable for IDH (isocitrate dehydrogenase) related research. |
Molecular Weight: | 173.12 |
Molecular Formula: | C7H5F2NO2 |
Canonical SMILES: | C1=CC(=NC(=C1)C(=O)O)C(F)F |
InChI: | InChI=1S/C7H5F2NO2/c8-6(9)4-2-1-3-5(10-4)7(11)12/h1-3,6H,(H,11,12) |
InChI Key: | CQOXJYFTHXMTNS-UHFFFAOYSA-N |
GHS Hazard Statement: | H303 (100%): May be harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P264+P265, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Complexity: | 175 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 173.02883473 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 173.02883473 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 50.2Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.4 |
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