| CAS Number | 1352393-84-0 |
| Catalog Number | AG00HTYW(AGN-PC-0WCKBY) |
| Chemical Name | 7-bromopyrazolo[1,5-a]pyridine-3-carboxylic acid |
| IUPAC Name | 7-bromopyrazolo[1,5-a]pyridine-3-carboxylic acid |
| InChI | InChI=1S/C8H5BrN2O2/c9-7-3-1-2-6-5(8(12)13)4-10-11(6)7/h1-4H,(H,12,13) |
| InChI Key | IUQQUPJRJKYUDO-UHFFFAOYSA-N |
| MDL Number | MFCD20923164 |
| Molecular Formula | C8H5BrN2O2 |
| Molecular Weight | 241.0415 |
| SMILES | O=C(C1=C2C=CC=C(Br)N2N=C1)O |
| Synonyms | 1352393-84-0,
7-bromopyrazolo[1,5-a]pyridine-3-carboxylic acid,
7-BROMO-PYRAZOLO[1,5-A]PYRIDINE-3-CARBOXYLIC ACID,
MFCD20923164,
ZINC95707324,
AKOS023650461,
PB13947,
AS-34358,
CS-0050059,
Q-3878,
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| Complexity | 224 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 239.953g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 241.044g/mol |
| Monoisotopic Mass | 239.953g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 54.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
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Certificate of Analysis
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