4-Phenylpyridine-2-carbonitrile - CAS 18714-16-4
Catalog: |
BB014398 |
Product Name: |
4-Phenylpyridine-2-carbonitrile |
CAS: |
18714-16-4 |
Synonyms: |
4-phenylpyridine-2-carbonitrile |
IUPAC Name: | 4-phenylpyridine-2-carbonitrile |
Description: | 4-Phenylpyridine-2-carbonitrile (CAS# 18714-16-4 ) is a useful research chemical. |
Molecular Weight: | 180.21 |
Molecular Formula: | C12H8N2 |
Canonical SMILES: | C1=CC=C(C=C1)C2=CC(=NC=C2)C#N |
InChI: | InChI=1S/C12H8N2/c13-9-12-8-11(6-7-14-12)10-4-2-1-3-5-10/h1-8H |
InChI Key: | TXLINXBIWJYFNR-UHFFFAOYSA-N |
Boiling Point: | 342.4 °C at 760 mmHg |
Density: | 1.17 g/cm3 |
LogP: | 2.62028 |
GHS Hazard Statement: | H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P310, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
US-2019382395-A1 | Tyrosine Kinase Inhibitors | 20180601 |
WO-2019231942-A1 | Quinoline derivatives useful as tyrosine kinase inhibitors | 20180601 |
US-10851093-B2 | Tyrosine kinase inhibitors | 20180601 |
CN-112513030-A | Quinoline derivatives as tyrosine kinase inhibitors | 20180601 |
EP-3810596-A1 | Quinoline derivatives useful as tyrosine kinase inhibitors | 20180601 |
Complexity: | 222 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 180.068748264 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 180.068748264 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 36.7 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.5 |
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