3,5-Dichloropyridine-4-carboxylic acid - CAS 13958-93-5
Catalog: |
BB008963 |
Product Name: |
3,5-Dichloropyridine-4-carboxylic acid |
CAS: |
13958-93-5 |
Synonyms: |
3,5-dichloropyridine-4-carboxylic acid |
IUPAC Name: | 3,5-dichloropyridine-4-carboxylic acid |
Description: | 3,5-Dichloropyridine-4-carboxylic acid (CAS# 13958-93-5) is a useful research chemical. |
Molecular Weight: | 192.00 |
Molecular Formula: | C6H3Cl2NO2 |
Canonical SMILES: | C1=C(C(=C(C=N1)Cl)C(=O)O)Cl |
InChI: | InChI=1S/C6H3Cl2NO2/c7-3-1-9-2-4(8)5(3)6(10)11/h1-2H,(H,10,11) |
InChI Key: | BUQPTOSHKHYHHB-UHFFFAOYSA-N |
Boiling Point: | 383 °C at 760 mmHg |
Density: | 1.612 g/cm3 |
MDL: | MFCD01861975 |
LogP: | 2.08660 |
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 |
US-2020109141-A1 | Amino acid compounds and methods of use | 20181008 |
WO-2020076862-A1 | Amino acid compounds and methods of use | 20181008 |
TW-202028179-A | Amino acid compounds and methods of use | 20181008 |
CN-113195053-A | Amino acid compounds and methods of use | 20181008 |
EP-3863711-A1 | Amino acid compounds and methods of use | 20181008 |
PMID | Publication Date | Title | Journal |
21302930 | 20110310 | 8-Azatetracyclines: synthesis and evaluation of a novel class of tetracycline antibacterial agents | Journal of medicinal chemistry |
Complexity: | 155 |
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: | 1.6 |
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