| CAS Number | 173314-98-2 |
| Catalog Number | AG00BA8B(AGN-PC-0QAAL8) |
| Chemical Name | 2-Pyridinamine,6-ethynyl-(9CI) |
| IUPAC Name | 6-ethynylpyridin-2-amine |
| InChI | InChI=1S/C7H6N2/c1-2-6-4-3-5-7(8)9-6/h1,3-5H,(H2,8,9) |
| InChI Key | ZNJXVCPFQSXVQF-UHFFFAOYSA-N |
| MDL Number | MFCD17214307 |
| Molecular Formula | C7H6N2 |
| Molecular Weight | 118.1359 |
| SMILES | NC1=NC(C#C)=CC=C1 |
| Synonyms | 6-ethynylpyridin-2-amine,
173314-98-2,
2-amino-6-ethynylpyridine,
6-ethynylpyridine-2-amine,
6-ethynyl-2-pyridinamine,
SCHEMBL769270,
DTXSID90663789,
ZNJXVCPFQSXVQF-UHFFFAOYSA-N,
2-Pyridinamine,6-ethynyl-(9CI),
MFCD17214307,
ZINC39051134,
AKOS006339978,
AK674041,
F-1010,
2-Pyridinamine, 6-ethynyl- (9CI),
|
| Complexity | 133 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 118.053g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 118.139g/mol |
| Monoisotopic Mass | 118.053g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 38.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number