2-Chloro-4-methoxynicotinic Acid - CAS 394729-98-7
Catalog: |
BB023995 |
Product Name: |
2-Chloro-4-methoxynicotinic Acid |
CAS: |
394729-98-7 |
Synonyms: |
2-chloro-4-methoxy-3-pyridinecarboxylic acid; 2-chloro-4-methoxypyridine-3-carboxylic acid |
IUPAC Name: | 2-chloro-4-methoxypyridine-3-carboxylic acid |
Description: | 2-Chloro-4-methoxynicotinic Acid (CAS# 394729-98-7) is a useful research chemical. |
Molecular Weight: | 187.58 |
Molecular Formula: | C7H6ClNO3 |
Canonical SMILES: | COC1=C(C(=NC=C1)Cl)C(=O)O |
InChI: | InChI=1S/C7H6ClNO3/c1-12-4-2-3-9-6(8)5(4)7(10)11/h2-3H,1H3,(H,10,11) |
InChI Key: | ZBHVWHBZHRBHRQ-UHFFFAOYSA-N |
LogP: | 1.44180 |
Publication Number | Title | Priority Date |
US-10150751-B2 | Pyrrolidine orexin receptor antagonists | 20141219 |
US-2017342052-A1 | Pyrrolidine orexin receptor antagonists | 20141219 |
WO-2016095204-A1 | Pyrrolidine orexin receptor antagonists | 20141219 |
WO-2016100154-A1 | Pyrrolidine orexin receptor antagonists | 20141219 |
CA-2968464-A1 | Substituted pyridobenzodiazepinone-derivatives and use thereof | 20141125 |
Complexity: | 176 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 187.0036207 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 187.0036207 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 59.4 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.3 |
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