3-(difluoromethyl)-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid - CAS 1394042-15-9
Catalog: |
BB068702 |
Product Name: |
3-(difluoromethyl)-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid |
CAS: |
1394042-15-9 |
Synonyms: |
3-(difluoromethyl)-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid; 3-(difluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid; 3-(difluoromethyl)-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylicacid |
IUPAC Name: | 3-(difluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid |
Description: | 3-(difluoromethyl)-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid (cas# 1394042-15-9) is a useful research chemical. |
Molecular Weight: | 217.17 |
Molecular Formula: | C8H9N3O2F2 |
Canonical SMILES: | C1CC2=NN=C(N2CC1C(=O)O)C(F)F |
InChI: | InChI=1S/C8H9F2N3O2/c9-6(10)7-12-11-5-2-1-4(8(14)15)3-13(5)7/h4,6H,1-3H2,(H,14,15) |
InChI Key: | NKZZIJAHOJMTFA-UHFFFAOYSA-N |
Melting Point: | >212°C (dec.) |
Solubility: | DMSO (Slightly), Methanol (Slightly, Sonicated) |
Appearance: | Off-White to Pale Grey Solid |
Storage: | 4°C, Inert atmosphere |
Complexity: | 264 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 217.06628286 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 217.06628286 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 68Ų |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0 |
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