5-Bromo-6-fluoronicotinic Acid - CAS 29241-63-2
Catalog: |
BB020144 |
Product Name: |
5-Bromo-6-fluoronicotinic Acid |
CAS: |
29241-63-2 |
Synonyms: |
5-bromo-6-fluoro-3-pyridinecarboxylic acid; 5-bromo-6-fluoropyridine-3-carboxylic acid |
IUPAC Name: | 5-bromo-6-fluoropyridine-3-carboxylic acid |
Description: | 5-Bromo-6-fluoronicotinic Acid (CAS# 29241-63-2) is a useful research chemical. |
Molecular Weight: | 220.00 |
Molecular Formula: | C6H3BrFNO2 |
Canonical SMILES: | C1=C(C=NC(=C1Br)F)C(=O)O |
InChI: | InChI=1S/C6H3BrFNO2/c7-4-1-3(6(10)11)2-9-5(4)8/h1-2H,(H,10,11) |
InChI Key: | VZBMIACXKWJDNS-UHFFFAOYSA-N |
Boiling Point: | 338.618 °C at 760 mmHg |
Density: | 1.903 g/cm3 |
MDL: | MFCD11036154 |
LogP: | 1.68140 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
KR-20150027922-A | Novel antifungal pyridinylhydrazide derivatives | 20130904 |
WO-2015034271-A1 | Novel antifungal pyridinylhydrazide derivatives | 20130904 |
EP-2707373-A1 | Bicyclic (thio)carbonylamidines | 20110510 |
US-2014113824-A1 | Bicyclic (thio)carbonylamidines | 20110510 |
WO-2012152741-A1 | Bicyclic (thio)carbonylamidines | 20110510 |
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 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.5 |
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