| CAS Number | 1207351-16-3 |
| Catalog Number | AG00HFPW(AGN-PC-0WCXBB) |
| Chemical Name | 5-ethynyl-1H-pyrrolo[2,3-b]pyridine |
| IUPAC Name | 5-ethynyl-1H-pyrrolo[2,3-b]pyridine |
| InChI | InChI=1S/C9H6N2/c1-2-7-5-8-3-4-10-9(8)11-6-7/h1,3-6H,(H,10,11) |
| InChI Key | ZDWOZOQHSOWIJD-UHFFFAOYSA-N |
| MDL Number | MFCD19217637 |
| Molecular Formula | C9H6N2 |
| Molecular Weight | 142.1573 |
| SMILES | C#CC1=CC2=C(NC=C2)N=C1 |
| Synonyms | 5-ethynyl-1H-pyrrolo[2,3-b]pyridine,
1207351-16-3,
SCHEMBL293195,
DTXSID30717513,
ZDWOZOQHSOWIJD-UHFFFAOYSA-N,
KS-000005SP,
FCH952051,
MFCD19217637,
AKOS006358233,
ZINC104626005,
SB14309,
1H-Pyrrolo[2,3-b]pyridine, 5-ethynyl-,
AK171328,
AS-51390,
CS-0050495,
D-1580,
F-5092,
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| Complexity | 191 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 142.053g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 142.161g/mol |
| Monoisotopic Mass | 142.053g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 28.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
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Certificate of Analysis
Lot Number