5-Bromo-4-iodopyridine-3-carboxylic acid - CAS 491588-98-8
Catalog: |
BB026643 |
Product Name: |
5-Bromo-4-iodopyridine-3-carboxylic acid |
CAS: |
491588-98-8 |
Synonyms: |
5-bromo-4-iodopyridine-3-carboxylic acid |
IUPAC Name: | 5-bromo-4-iodopyridine-3-carboxylic acid |
Description: | 5-Bromo-4-iodopyridine-3-carboxylic acid (CAS# 491588-98-8 ) is a useful research chemical. |
Molecular Weight: | 327.90 |
Molecular Formula: | C6H3BrINO2 |
Canonical SMILES: | C1=C(C(=C(C=N1)Br)I)C(=O)O |
InChI: | InChI=1S/C6H3BrINO2/c7-4-2-9-1-3(5(4)8)6(10)11/h1-2H,(H,10,11) |
InChI Key: | DDILUXVGWWORKX-UHFFFAOYSA-N |
LogP: | 2.14690 |
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 |
EP-3124482-A1 | Quinoline derivatives as smo inhibitors | 20140324 |
EP-3124482-B1 | Quinoline derivatives as smo inhibitors | 20140324 |
US-2017174703-A1 | Quinoline derivatives as smo inhibitors | 20140324 |
US-9938292-B2 | Quinoline derivatives as SMO inhibitors | 20140324 |
WO-2015144001-A1 | Quinoline derivatives as smo inhibitors | 20140324 |
Complexity: | 167 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 326.83919 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 326.83919 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 50.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.7 |
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