2,5-Difluoropyridine-4-carboxylic acid - CAS 851386-39-5
Catalog: |
BB037501 |
Product Name: |
2,5-Difluoropyridine-4-carboxylic acid |
CAS: |
851386-39-5 |
Synonyms: |
2,5-difluoro-4-pyridinecarboxylic acid; 2,5-difluoropyridine-4-carboxylic acid |
IUPAC Name: | 2,5-difluoropyridine-4-carboxylic acid |
Description: | 2,5-Difluoropyridine-4-carboxylic acid (CAS# 851386-39-5) is a useful research chemical. |
Molecular Weight: | 159.09 |
Molecular Formula: | C6H3F2NO2 |
Canonical SMILES: | C1=C(C(=CN=C1F)F)C(=O)O |
InChI: | InChI=1S/C6H3F2NO2/c7-4-2-9-5(8)1-3(4)6(10)11/h1-2H,(H,10,11) |
InChI Key: | ZOWKELQABLPUIR-UHFFFAOYSA-N |
Boiling Point: | 372.7 ℃ at 760 mmHg |
Density: | 1.535 g/cm3 |
LogP: | 1.05800 |
Publication Number | Title | Priority Date |
EA-035599-B1 | Muscarinic m1 receptor positive allosteric modulators | 20170413 |
AU-2017319609-A1 | Muscarinic M1 receptor positive allosteric modulators | 20160902 |
AU-2017319609-B2 | Muscarinic M1 receptor positive allosteric modulators | 20160902 |
CA-3034775-A1 | Muscarinic m1 receptor positive allosteric modulators | 20160902 |
CN-109952302-A | Muscarine M1 receptor forward direction allosteric modulators | 20160902 |
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 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.9 |
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