| CAS Number | 946002-90-0 |
| Catalog Number | AG00H5S7(AGN-PC-0WAHY8) |
| Chemical Name | (S)-1-(5-Bromopyridin-2-yl)pyrrolidin-3-ol |
| IUPAC Name | (3S)-1-(5-bromopyridin-2-yl)pyrrolidin-3-ol |
| InChI | InChI=1S/C9H11BrN2O/c10-7-1-2-9(11-5-7)12-4-3-8(13)6-12/h1-2,5,8,13H,3-4,6H2/t8-/m0/s1 |
| InChI Key | SXRFQXQWZRXLBR-QMMMGPOBSA-N |
| MDL Number | MFCD09910227 |
| Molecular Formula | C9H11BrN2O |
| Molecular Weight | 243.1004 |
| SMILES | O[C@@H]1CN(C2=NC=C(Br)C=C2)CC1 |
| Synonyms | (S)-1-(5-Bromopyridin-2-yl)pyrrolidin-3-ol,
946002-90-0,
(3S)-1-(5-Bromopyridin-2-yl)pyrrolidin-3-ol,
(S)-1-(5-Bromo-pyridin-2-yl)-pyrrolidin-3-ol,
SCHEMBL389193,
CTK5H6859,
KS-00000LNB,
DTXSID40653110,
SXRFQXQWZRXLBR-QMMMGPOBSA-N,
MFCD09910227,
ZINC26898964,
AKOS025117279,
DS-9783,
AJ-83254,
ST24035729,
B67497,
A1-01364,
(S)-1-(5-BROMO(PYRIDIN-2-YL))PYRROLIDIN-3-OL,
-1- pyrrolidin-3-ol,
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| Complexity | 179 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 242.005g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 243.104g/mol |
| Monoisotopic Mass | 242.005g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 36.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number