2-(5-Bromo-2-pyrimidyl)acetonitrile - CAS 831203-15-7
Catalog: |
BB036970 |
Product Name: |
2-(5-Bromo-2-pyrimidyl)acetonitrile |
CAS: |
831203-15-7 |
Synonyms: |
2-(5-bromo-2-pyrimidinyl)acetonitrile; 2-(5-bromopyrimidin-2-yl)acetonitrile |
IUPAC Name: | 2-(5-bromopyrimidin-2-yl)acetonitrile |
Description: | 2-(5-Bromo-2-pyrimidyl)acetonitrile (CAS# 831203-15-7) is a useful research chemical. |
Molecular Weight: | 198.02 |
Molecular Formula: | C6H4BrN3 |
Canonical SMILES: | C1=C(C=NC(=N1)CC#N)Br |
InChI: | InChI=1S/C6H4BrN3/c7-5-3-9-6(1-2-8)10-4-5/h3-4H,1H2 |
InChI Key: | XLGDBMBECTZVKI-UHFFFAOYSA-N |
Boiling Point: | 293.8 °C at 760 mmHg |
Density: | 1.674 g/cm3 |
MDL: | MFCD11111850 |
LogP: | 1.30518 |
Publication Number | Title | Priority Date |
AU-2018323969-A1 | Lysophosphatidic acid receptor 1 (LPAR1) inhibitor compounds | 20170904 |
CA-3073983-A1 | Lysophosphatidic acid receptor 1 (lpar1) inhibitor compounds | 20170904 |
CN-111032647-A | Lysophosphatidic acid receptor 1(LPAR1) inhibitor compounds | 20170904 |
KR-20200035440-A | Lysophosphatidic acid receptor 1 (LPAR1) inhibitor compounds | 20170904 |
WO-2019041340-A1 | LYSOPHOSPHATIDE ACID RECEPTOR 1 RECEPTOR INHIBITORS (LPAR1) | 20170904 |
Complexity: | 142 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 196.95886 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 196.95886 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 49.6 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.6 |
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