3-Bromo-5-fluoropyridine-2-carboxylic acid - CAS 1189513-55-0
Catalog: |
BB004354 |
Product Name: |
3-Bromo-5-fluoropyridine-2-carboxylic acid |
CAS: |
1189513-55-0 |
Synonyms: |
3-bromo-5-fluoropyridine-2-carboxylic acid |
IUPAC Name: | 3-bromo-5-fluoropyridine-2-carboxylic acid |
Description: | 3-Bromo-5-fluoropyridine-2-carboxylic acid (CAS# 1189513-55-0) is a useful research chemical. |
Molecular Weight: | 220.00 |
Molecular Formula: | C6H3BrFNO2 |
Canonical SMILES: | C1=C(C=NC(=C1Br)C(=O)O)F |
InChI: | InChI=1S/C6H3BrFNO2/c7-4-1-3(8)2-9-5(4)6(10)11/h1-2H,(H,10,11) |
InChI Key: | JNOJGNTXRVBLGR-UHFFFAOYSA-N |
Purity: | 95 % |
Appearance: | Solid |
LogP: | 1.68140 |
Publication Number | Title | Priority Date |
US-2021017170-A1 | Processes for preparing toll-like receptor modulator compounds | 20190628 |
WO-2020264081-A1 | Processes for preparing toll-like receptor modulator compounds | 20190628 |
US-2019112292-A1 | Novel n-[(heteroaryloxy)propanyl]heteroaryl carboxamides | 20160415 |
WO-2017178344-A1 | Novel n-[(heteroaryloxy)propanyl]heteroaryl carboxamides | 20160415 |
US-10738031-B2 | N-[(heteroaryloxy)propanyl]heteroaryl carboxamides as antagonists of orexin subtype 1 receptor activity | 20160415 |
Complexity: | 167 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 218.93312 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 218.93312 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 50.2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.5 |
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