2,5-Dichloronicotinic acid - CAS 59782-85-3
Catalog: |
BB030498 |
Product Name: |
2,5-Dichloronicotinic acid |
CAS: |
59782-85-3 |
Synonyms: |
2,5-dichloropyridine-3-carboxylic acid |
IUPAC Name: | 2,5-dichloropyridine-3-carboxylic acid |
Description: | 2,5-Dichloronicotinic acid (CAS# 59782-85-3) is a useful research chemical. |
Molecular Weight: | 192.00 |
Molecular Formula: | C6H3Cl2NO2 |
Canonical SMILES: | C1=C(C(=NC=C1Cl)Cl)C(=O)O |
InChI: | InChI=1S/C6H3Cl2NO2/c7-3-1-4(6(10)11)5(8)9-2-3/h1-2H,(H,10,11) |
InChI Key: | SXQSMLIMBNMUNB-UHFFFAOYSA-N |
Boiling Point: | 323.7 ℃ at 760 mmHg |
Melting Point: | 154-155 ℃ |
Purity: | 98.5 % |
Density: | 1.612 g/cm3 |
Appearance: | White powder |
MDL: | MFCD01861979 |
LogP: | 2.08660 |
GHS Hazard Statement: | H302 (97.5%): 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-2021032934-A1 | Enzyme inhibitors | 20190821 |
WO-2020014246-A1 | Pyridine carboxamide compounds for inhibiting nav1.8 | 20180709 |
AU-2019301628-A1 | Pyridine carboxamide compounds for inhibiting NaV1.8 | 20180709 |
CN-112689633-A | For inhibiting Nav1.8 pyridine carboxamide Compounds | 20180709 |
KR-20210019581-A | Pyridine carboxamide compounds to inhibit Nav1.8 | 20180709 |
Complexity: | 165 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 190.9540837 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 190.9540837 |
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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