5-Bromo-3-chloropyridine-2-carboxylic Acid - CAS 1189513-51-6
Catalog: |
BB004353 |
Product Name: |
5-Bromo-3-chloropyridine-2-carboxylic Acid |
CAS: |
1189513-51-6 |
Synonyms: |
5-bromo-3-chloro-2-pyridinecarboxylic acid; 5-bromo-3-chloropyridine-2-carboxylic acid |
IUPAC Name: | 5-bromo-3-chloropyridine-2-carboxylic acid |
Description: | 5-Bromo-3-chloropyridine-2-carboxylic Acid (CAS# 1189513-51-6) is a useful research chemical. |
Molecular Weight: | 236.45 |
Molecular Formula: | C6H3BrClNO2 |
Canonical SMILES: | C1=C(C(=NC=C1Br)C(=O)O)Cl |
InChI: | InChI=1S/C6H3BrClNO2/c7-3-1-4(8)5(6(10)11)9-2-3/h1-2H,(H,10,11) |
InChI Key: | KPHRXSNSIGEBSN-UHFFFAOYSA-N |
MDL: | MFCD12827552 |
LogP: | 2.19570 |
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-2021134004-A1 | Cyclic compounds and methods of using same | 20191227 |
WO-2021105399-A1 | Process for the preparation of 5-chloro-pyridine-2-carboxylic acids and carboxylates with 3-sulfur containing substituents | 20191127 |
JP-2018188462-A | Compositions containing heterocyclic compounds | 20180727 |
US-2019381012-A1 | Pyrazole derivatives as malt1 inhibitors | 20180618 |
WO-2019243965-A1 | Pyrazole derivatives as malt1 inhibitors | 20180618 |
Complexity: | 167 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 234.90357 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 234.90357 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 50.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2 |
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Pyridines
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