6-morpholinonicotinic acid - CAS 120800-52-4
Catalog: |
BB004978 |
Product Name: |
6-morpholinonicotinic acid |
CAS: |
120800-52-4 |
Synonyms: |
6-(4-morpholinyl)-3-pyridinecarboxylic acid; 6-morpholin-4-ylpyridine-3-carboxylic acid |
IUPAC Name: | 6-morpholin-4-ylpyridine-3-carboxylic acid |
Description: | 6-morpholinonicotinic acid (CAS# 120800-52-4) is a useful research chemical. |
Molecular Weight: | 208.21 |
Molecular Formula: | C10H12N2O3 |
Canonical SMILES: | C1COCCN1C2=NC=C(C=C2)C(=O)O |
InChI: | InChI=1S/C10H12N2O3/c13-10(14)8-1-2-9(11-7-8)12-3-5-15-6-4-12/h1-2,7H,3-6H2,(H,13,14) |
InChI Key: | XXDSDFLDYNISKD-UHFFFAOYSA-N |
Boiling Point: | 446.1 °C at 760 mmHg |
Melting Point: | 258-261 °C |
Purity: | 98 % |
Density: | 1.313 g/cm3 |
MDL: | MFCD02682034 |
LogP: | 0.68140 |
GHS Hazard Statement: | H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021104416-A1 | Compounds and methods for treating inflammatory bowel disease | 20191129 |
WO-2019154950-A1 | Fused thiophene derivatives and their uses | 20180208 |
AU-2019216793-A1 | Fused thiophene derivatives and their uses | 20180208 |
CN-111954668-A | Fused thiophene derivative and use thereof | 20180208 |
EP-3749659-A1 | Fused thiophene derivatives and their uses | 20180208 |
Complexity: | 229 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 208.08479225 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 208.08479225 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 62.7 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.5 |
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