5-Bromo-3-(difluoromethyl)-2-methoxypyridine - CAS 1254123-51-7
Catalog: |
BB006117 |
Product Name: |
5-Bromo-3-(difluoromethyl)-2-methoxypyridine |
CAS: |
1254123-51-7 |
Synonyms: |
5-bromo-3-(difluoromethyl)-2-methoxypyridine; 5-bromo-3-(difluoromethyl)-2-methoxypyridine |
IUPAC Name: | 5-bromo-3-(difluoromethyl)-2-methoxypyridine |
Description: | 5-Bromo-3-(difluoromethyl)-2-methoxypyridine (CAS# 1254123-51-7) is a useful research chemical. |
Molecular Weight: | 238.03 |
Molecular Formula: | C7H6BrF2NO |
Canonical SMILES: | COC1=NC=C(C=C1C(F)F)Br |
InChI: | InChI=1S/C7H6BrF2NO/c1-12-7-5(6(9)10)2-4(8)3-11-7/h2-3,6H,1H3 |
InChI Key: | AJNHTTUMXPNNAH-UHFFFAOYSA-N |
MDL: | MFCD23163928 |
LogP: | 2.79030 |
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-2021076890-A1 | INHIBITING HUMAN INTEGRIN α4β7 | 20191016 |
WO-2021076902-A1 | INHIBITING HUMAN INTEGRIN α 4 β 7 | 20191016 |
US-11104661-B1 | Inhibiting human integrin (α-4) (β-7) | 20191016 |
TW-202003466-A | ANTAGONISTS OF HUMAN INTEGRIN α4β7 | 20180412 |
US-2019315692-A1 | Antagonists of human integrin (alpha4)(beta7) | 20180412 |
Complexity: | 147 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 236.96008 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 236.96008 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 22.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.5 |
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