(S)-5-Bromonicoltine - CAS 71606-34-3
Catalog: |
BB072670 |
Product Name: |
(S)-5-Bromonicoltine |
CAS: |
71606-34-3 |
Synonyms: |
Pyridine, 3-bromo-5-[(2S)-1-methyl-2-pyrrolidinyl]-; (S)-3-bromo-5-(1-methylpyrrolidin-2-yl)pyridine; 3-bromo-5-[(2S)-1-methylpyrrolidin-2-yl]pyridine; 5-Bromo-3-[(2S)-1-methyl-2-pyrrolidinyl]pyridine |
IUPAC Name: | 3-bromo-5-[(2S)-1-methylpyrrolidin-2-yl]pyridine |
Description: | (S)-5-Bromonicoltine is an intermediate in the proposed R&D synthesis of (S)-5-(1-Nitrosopyrrolidin-2-yl)nicotinic Acid (N535035), an isomer of N'-Nitrosonornicotine-5-carboxylic Acid; a nicotine derivative. |
Molecular Weight: | 241.13 |
Molecular Formula: | C10H13BrN2 |
Canonical SMILES: | CN1CCCC1C2=CC(=CN=C2)Br |
InChI: | InChI=1S/C10H13BrN2/c1-13-4-2-3-10(13)8-5-9(11)7-12-6-8/h5-7,10H,2-4H2,1H3/t10-/m0/s1 |
InChI Key: | VKHLFAFBADEABG-JTQLQIEISA-N |
Complexity: | 174 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 1 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 240.02621 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 240.02621 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 16.1Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.9 |
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