2-Chloro-6-methoxynicotinic acid - CAS 503000-87-1
Catalog: |
BB026996 |
Product Name: |
2-Chloro-6-methoxynicotinic acid |
CAS: |
503000-87-1 |
Synonyms: |
2-chloro-6-methoxypyridine-3-carboxylic acid |
IUPAC Name: | 2-chloro-6-methoxypyridine-3-carboxylic acid |
Description: | 2-Chloro-6-methoxynicotinic acid (CAS# 503000-87-1) is a useful research chemical. |
Molecular Weight: | 187.58 |
Molecular Formula: | C7H6ClNO3 |
Canonical SMILES: | COC1=NC(=C(C=C1)C(=O)O)Cl |
InChI: | InChI=1S/C7H6ClNO3/c1-12-5-3-2-4(7(10)11)6(8)9-5/h2-3H,1H3,(H,10,11) |
InChI Key: | JPBUYRWPJMVZKX-UHFFFAOYSA-N |
Boiling Point: | 310.391 ℃ at 760 mmHg |
Density: | 1.43 g/cm3 |
Appearance: | Solid |
MDL: | MFCD08236845 |
LogP: | 1.44180 |
GHS Hazard Statement: | H302 (100%): 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-2020095176-A1 | Inhibitors of human immunodeficiency virus replication | 20181105 |
EP-3876942-A1 | Inhibitors of human immunodeficiency virus replication | 20181105 |
WO-2020092187-A1 | 2-amino-n-phenyl-nicotinamides as nav1.8 inhibitors | 20181102 |
EP-3873468-A1 | 2-amino-n-phenyl-nicotinamides as nav1.8 inhibitors | 20181102 |
US-2019185451-A1 | Inhibitors of fibroblast activation protein | 20171215 |
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 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.6 |
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