3,5-Difluoropyridine-2-carboxylic acid - CAS 745784-04-7
Catalog: |
BB035113 |
Product Name: |
3,5-Difluoropyridine-2-carboxylic acid |
CAS: |
745784-04-7 |
Synonyms: |
3,5-difluoropyridine-2-carboxylic acid |
IUPAC Name: | 3,5-difluoropyridine-2-carboxylic acid |
Description: | 3,5-Difluoropyridine-2-carboxylic acid (CAS# 745784-04-7) is a useful research chemical. |
Molecular Weight: | 159.09 |
Molecular Formula: | C6H3F2NO2 |
Canonical SMILES: | C1=C(C=NC(=C1F)C(=O)O)F |
InChI: | InChI=1S/C6H3F2NO2/c7-3-1-4(8)5(6(10)11)9-2-3/h1-2H,(H,10,11) |
InChI Key: | QKLXAJQKMIWFRC-UHFFFAOYSA-N |
Boiling Point: | 240.6 °C at 760 mmHg |
Melting Point: | 202-204 °C |
Purity: | 95 % |
Density: | 1.535 g/cm3 |
MDL: | MFCD05664124 |
LogP: | 1.05800 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021032687-A1 | Antimalarial hexahydropyrimidine analogues | 20190819 |
WO-2021022186-A1 | Deuterated mk2 pathway inhibitors and methods of using the same | 20190731 |
US-2021017170-A1 | Processes for preparing toll-like receptor modulator compounds | 20190628 |
WO-2020264081-A1 | Processes for preparing toll-like receptor modulator compounds | 20190628 |
WO-2020264499-A1 | Irak degraders and uses thereof | 20190628 |
Complexity: | 165 |
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: | 0.9 |
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