3-Bromo-5-methylpyridine-2-carboxylic Acid - CAS 1211515-68-2
Catalog: |
BB005047 |
Product Name: |
3-Bromo-5-methylpyridine-2-carboxylic Acid |
CAS: |
1211515-68-2 |
Synonyms: |
3-bromo-5-methyl-2-pyridinecarboxylic acid; 3-bromo-5-methylpyridine-2-carboxylic acid |
IUPAC Name: | 3-bromo-5-methylpyridine-2-carboxylic acid |
Description: | 3-Bromo-5-methylpyridine-2-carboxylic Acid (CAS# 1211515-68-2) is a useful research chemical. |
Molecular Weight: | 216.03 |
Molecular Formula: | C7H6BrNO2 |
Canonical SMILES: | CC1=CC(=C(N=C1)C(=O)O)Br |
InChI: | InChI=1S/C7H6BrNO2/c1-4-2-5(8)6(7(10)11)9-3-4/h2-3H,1H3,(H,10,11) |
InChI Key: | BAFGEDISONEYIX-UHFFFAOYSA-N |
Appearance: | Solid |
LogP: | 1.85070 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
US-2019112292-A1 | Novel n-[(heteroaryloxy)propanyl]heteroaryl carboxamides | 20160415 |
WO-2017178344-A1 | Novel n-[(heteroaryloxy)propanyl]heteroaryl carboxamides | 20160415 |
US-10738031-B2 | N-[(heteroaryloxy)propanyl]heteroaryl carboxamides as antagonists of orexin subtype 1 receptor activity | 20160415 |
EP-3442965-B1 | Novel n-[(heteroaryloxy)propanyl]heteroaryl carboxamides | 20160415 |
AU-2015314851-A1 | Substituted 2-azabicycles and their use as orexin receptor modulators | 20140911 |
Complexity: | 163 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 214.95819 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 214.95819 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 50.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.8 |
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