5-bromo-2-chloronicotinic acid - CAS 29241-65-4
Catalog: |
BB020147 |
Product Name: |
5-bromo-2-chloronicotinic acid |
CAS: |
29241-65-4 |
Synonyms: |
5-bromo-2-chloro-3-pyridinecarboxylic acid; 5-bromo-2-chloropyridine-3-carboxylic acid |
IUPAC Name: | 5-bromo-2-chloropyridine-3-carboxylic acid |
Description: | 5-bromo-2-chloronicotinic acid (CAS# 29241-65-4) is a useful research chemical. |
Molecular Weight: | 236.45 |
Molecular Formula: | C6H3BrClNO2 |
Canonical SMILES: | C1=C(C(=NC=C1Br)Cl)C(=O)O |
InChI: | InChI=1S/C6H3BrClNO2/c7-3-1-4(6(10)11)5(8)9-2-3/h1-2H,(H,10,11) |
InChI Key: | UKNYSJCAGUXDOQ-UHFFFAOYSA-N |
Boiling Point: | 345.1 ℃ at 760 mmHg |
Purity: | 97.0 % |
Density: | 1.629 g/cm3 |
MDL: | MFCD03844847 |
LogP: | 2.19570 |
GHS Hazard Statement: | H302 (92.86%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P301+P312, P330, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021154966-A1 | Compounds and compositions for use in treating skin disorders | 20200129 |
US-2021078996-A1 | Hpk1 antagonists and uses thereof | 20190913 |
US-2021078997-A1 | SUBSTITUTED ISOINDOLIN-1-ONES AND 2,3-DIHYDRO-1H-PYRROL[3,4-c]PYRIDIN-1-ONES AS HPK1 ANTAGONISTS | 20190913 |
US-2021078998-A1 | SUBSTITUTED ISOINDOLIN-1-ONES AND 2,3-DIHYDRO-1H-PYRROLO[3,4-c]PYRIDIN-1-ONES AS HPK1 ANTAGONISTS | 20190913 |
US-2021087189-A1 | SUBSTITUTED ISINDOLIN-1-ONES AND 2,3-DIHYDRO-1H-PYRROLO[3,3-c]PYRIDIN-1-ONES AS HPK1 ANTAGONISTS | 20190913 |
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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