2-Bromo-3-chloroisonicotinic Acid - CAS 1214377-39-5
Catalog: |
BB005159 |
Product Name: |
2-Bromo-3-chloroisonicotinic Acid |
CAS: |
1214377-39-5 |
Synonyms: |
2-bromo-3-chloro-4-pyridinecarboxylic acid; 2-bromo-3-chloropyridine-4-carboxylic acid |
IUPAC Name: | 2-bromo-3-chloropyridine-4-carboxylic acid |
Description: | 2-Bromo-3-chloroisonicotinic Acid (CAS# 1214377-39-5) is a useful research chemical. |
Molecular Weight: | 236.45 |
Molecular Formula: | C6H3BrClNO2 |
Canonical SMILES: | C1=CN=C(C(=C1C(=O)O)Cl)Br |
InChI: | InChI=1S/C6H3BrClNO2/c7-5-4(8)3(6(10)11)1-2-9-5/h1-2H,(H,10,11) |
InChI Key: | GWSHXCWLVTUTEE-UHFFFAOYSA-N |
Storage: | Sealed in dry, 2-8 °C |
MDL: | MFCD13185789 |
LogP: | 2.19570 |
GHS Hazard Statement: | H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
Precautionary Statement: | P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021115286-A1 | Six-membered and five-membered aromatic ring derivative containing nitrogen heteroatoms which can be used as shp2 inhibitor | 20191210 |
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 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2 |
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