| CAS Number | 1261844-48-7 |
| Catalog Number | AG000S1M(AGN-PC-0WCKRT) |
| Chemical Name | 1H-Pyrrolo[2,3-b]pyridine, 2-(difluoromethyl)- |
| IUPAC Name | 2-(difluoromethyl)-1H-pyrrolo[2,3-b]pyridine |
| InChI | InChI=1S/C8H6F2N2/c9-7(10)6-4-5-2-1-3-11-8(5)12-6/h1-4,7H,(H,11,12) |
| InChI Key | CSQUQRRHDBLZMH-UHFFFAOYSA-N |
| MDL Number | MFCD18414144 |
| Molecular Formula | C8H6F2N2 |
| Molecular Weight | 168.1434 |
| SMILES | FC(F)c1cc2cccnc2[nH]1 |
| Synonyms | 1261844-48-7,
2-(DIFLUOROMETHYL)-1H-PYRROLO[2,3-B]PYRIDINE,
2-DIFLUOROMETHYL-7-AZAINDOLE,
KS-000006UI,
MFCD18414144,
ZINC206018761,
PB16798,
AS-51311,
CS-0052236,
Q-3197,
1H-Pyrrolo[2,3-b]pyridine, 2-(difluoromethyl)-,
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| Complexity | 163 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 168.05g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 168.147g/mol |
| Monoisotopic Mass | 168.05g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 28.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
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Certificate of Analysis
Lot Number