| CAS Number | 1258504-40-3 |
| Catalog Number | AG01BTF0 |
| Chemical Name | 2-{5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl}ethan-1-amine hydrochloride |
| IUPAC Name | 2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)ethanamine;hydrochloride |
| InChI | InChI=1S/C9H10ClN3.ClH/c10-7-3-8-6(1-2-11)4-12-9(8)13-5-7;/h3-5H,1-2,11H2,(H,12,13);1H |
| InChI Key | VEQFVNJZXCTOAN-UHFFFAOYSA-N |
| MDL Number | MFCD30481382 |
| Molecular Formula | C9H11Cl2N3 |
| Molecular Weight | 232.1097 |
| SMILES | Cl.NCCC1C2=C(N=CC(=C2)Cl)NC=1 |
| Synonyms | 2-{5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl}ethan-1-amine hydrochloride,
1258504-40-3,
SCHEMBL892792,
VEQFVNJZXCTOAN-UHFFFAOYSA-N,
2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)ethanamine hydrochloride,
|
| Complexity | 176 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 231.033g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 232.108g/mol |
| Monoisotopic Mass | 231.033g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 54.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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