3,5-Difluoroisonicotinic Acid - CAS 903522-29-2
Catalog: |
BB039821 |
Product Name: |
3,5-Difluoroisonicotinic Acid |
CAS: |
903522-29-2 |
Synonyms: |
3,5-difluoro-4-pyridinecarboxylic acid; 3,5-difluoropyridine-4-carboxylic acid |
IUPAC Name: | 3,5-difluoropyridine-4-carboxylic acid |
Description: | A di-substituted isonicotinic acid (I821760) used in the preparation of pyridyl-fused lactam derivatives. |
Molecular Weight: | 159.09 |
Molecular Formula: | C6H3F2NO2 |
Canonical SMILES: | C1=C(C(=C(C=N1)F)C(=O)O)F |
InChI: | InChI=1S/C6H3F2NO2/c7-3-1-9-2-4(8)5(3)6(10)11/h1-2H,(H,10,11) |
InChI Key: | DRWDDFVJHGAJTN-UHFFFAOYSA-N |
Boiling Point: | 316.9 °C at 760 mmHg |
Density: | 1.535 g/cm3 |
Appearance: | Solid |
MDL: | MFCD04972829 |
LogP: | 1.05800 |
GHS Hazard Statement: | H302 (97.5%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P280, P301+P312, P302+P352, P305+P351+P338, P310, P321, P330, P332+P313, P362, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
CA-3085255-A1 | Eif4e-inhibiting compounds and methods | 20190702 |
WO-2021003157-A1 | Eif4e-inhibiting 4-oxo-3,4-dihydropyrido[3,4-d]pyrimidine compounds | 20190702 |
US-2019315717-A1 | Benzimidazole and indole compounds and uses thereof | 20180413 |
CN-111065383-A | Carboxamides useful as sodium channel modulators | 20170711 |
EP-3651752-A1 | Carboxamides as modulators of sodium channels | 20170711 |
Complexity: | 155 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 159.01318466 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 159.01318466 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 50.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.6 |
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