| CAS Number | 1179072-77-5 |
| Catalog Number | AG009M3I(AGN-PC-0WO1BV) |
| Chemical Name | 4-(4-Bromo-1H-pyrazol-1-yl)pyridine |
| IUPAC Name | 4-(4-bromopyrazol-1-yl)pyridine |
| InChI | InChI=1S/C8H6BrN3/c9-7-5-11-12(6-7)8-1-3-10-4-2-8/h1-6H |
| InChI Key | OMMHWBMJGFPIOU-UHFFFAOYSA-N |
| MDL Number | MFCD12824395 |
| Molecular Formula | C8H6BrN3 |
| Molecular Weight | 224.0573 |
| SMILES | BrC=1C=NN(C1)C1=CC=NC=C1 |
| Synonyms | 4-(4-bromo-1H-pyrazol-1-yl)pyridine,
1179072-77-5,
4-(4-Bromo-1-pyrazolyl)pyridine,
SCHEMBL16698011,
OMMHWBMJGFPIOU-UHFFFAOYSA-N,
ZINC38074910,
AKOS010257905,
MCULE-3125164542,
NE44175,
QC-10366,
AM20050696,
CS-0058323,
EN300-90388,
F8880-1984,
Z1262327406,
4-(4-bromopyrazol-1-yl)pyridine,
|
| Complexity | 147 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 222.975g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 224.061g/mol |
| Monoisotopic Mass | 222.975g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 30.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number