3-Bromo-4-phenylpyridine - CAS 88345-89-5
Catalog: |
BB038823 |
Product Name: |
3-Bromo-4-phenylpyridine |
CAS: |
88345-89-5 |
Synonyms: |
3-bromo-4-phenylpyridine; 3-bromo-4-phenylpyridine |
IUPAC Name: | 3-bromo-4-phenylpyridine |
Description: | 3-Bromo-4-phenylpyridine (CAS# 88345-89-5) is a useful research chemical. |
Molecular Weight: | 234.09 |
Molecular Formula: | C11H8BrN |
Canonical SMILES: | C1=CC=C(C=C1)C2=C(C=NC=C2)Br |
InChI: | InChI=1S/C11H8BrN/c12-11-8-13-7-6-10(11)9-4-2-1-3-5-9/h1-8H |
InChI Key: | LVNPADQPUYHCOR-UHFFFAOYSA-N |
Boiling Point: | 292.8 °C at 760 mmHg |
Density: | 1.426 g/cm3 |
LogP: | 3.51110 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2020086857-A1 | Wdr5 inhibitors and modulators | 20181024 |
EP-3870173-A1 | Wdr5 inhibitors and modulators | 20181024 |
WO-2020010242-A1 | Pharmaceutical agents for use in smoking and tobacco cessation | 20180703 |
US-2021276987-A1 | Pharmaceutical agents for use in smoking and tobacco cessation | 20180703 |
KR-20190034564-A | Pharmaceutical compound | 20160726 |
Complexity: | 154 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 232.98401 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 232.98401 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 12.9 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.2 |
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