| CAS Number | 920966-13-8 |
| Catalog Number | AG006K2E(AGN-PC-0H8D5R) |
| Chemical Name | 1H-Pyrrolo[2,3-b]pyridine-5-carboxamide, 4-chloro- |
| IUPAC Name | 4-chloro-1H-pyrrolo[2,3-b]pyridine-5-carboxamide |
| InChI | InChI=1S/C8H6ClN3O/c9-6-4-1-2-11-8(4)12-3-5(6)7(10)13/h1-3H,(H2,10,13)(H,11,12) |
| InChI Key | VQUZOZOEDPTJRR-UHFFFAOYSA-N |
| MDL Number | MFCD15529238 |
| Molecular Formula | C8H6ClN3O |
| Molecular Weight | 195.6057 |
| SMILES | Clc1c2c(ncc1C(=O)N)[nH]cc2 |
| Synonyms | 920966-13-8,
4-chloro-1H-pyrrolo[2,3-b]pyridine-5-carboxamide,
1H-Pyrrolo[2,3-b]pyridine-5-carboxamide, 4-chloro-,
SCHEMBL1154763,
CTK3H0951,
DTXSID90736048,
VQUZOZOEDPTJRR-UHFFFAOYSA-N,
ZINC90585815,
AKOS028110397,
FCH1141129,
SB17729,
BC642474,
P92138,
1H-Pyrrolo[2,3-b]pyridine-5-carboxamide,4-chloro-,
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| Complexity | 223 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 195.02g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 195.606g/mol |
| Monoisotopic Mass | 195.02g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 71.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number