2-bromo-6-[[(2S,4R)-4-fluoropyrrolidin-2-yl]methylsulfonyl]pyridine

C10H12BrFN2O2S — CID 126623757

IUPAC2-bromo-6-[[(2S,4R)-4-fluoropyrrolidin-2-yl]methylsulfonyl]pyridine
SMILESO=S(=O)(C[C@@H]1C[C@@H](F)CN1)c1cccc(Br)n1
InChIInChI=1S/C10H12BrFN2O2S/c11-9-2-1-3-10(14-9)17(15,16)6-8-4-7(12)5-13-8/h1-3,7-8,13H,4-6H2/t7-,8+/m1/s1
InChIKeyOMHKYXQRAGXIBD-SFYZADRCSA-N
MW323.19 g/mol
LogP1.32
Rot. Bonds3

About 2-bromo-6-[[(2S,4R)-4-fluoropyrrolidin-2-yl]methylsulfonyl]pyridine

2-bromo-6-[[(2S,4R)-4-fluoropyrrolidin-2-yl]methylsulfonyl]pyridine (PubChem CID 126623757) has the molecular formula C10H12BrFN2O2S and a molecular weight of 323.19 g/mol. Its IUPAC name is 2-bromo-6-[[(2S,4R)-4-fluoropyrrolidin-2-yl]methylsulfonyl]pyridine.

Molecular Properties

Compound Name2-bromo-6-[[(2S,4R)-4-fluoropyrrolidin-2-yl]methylsulfonyl]pyridine
PubChem CID126623757
Molecular FormulaC10H12BrFN2O2S
Molecular Weight323.19 g/mol
Exact Mass321.98
IUPAC Name2-bromo-6-[[(2S,4R)-4-fluoropyrrolidin-2-yl]methylsulfonyl]pyridine
SMILESO=S(=O)(C[C@@H]1C[C@@H](F)CN1)c1cccc(Br)n1
InChIInChI=1S/C10H12BrFN2O2S/c11-9-2-1-3-10(14-9)17(15,16)6-8-4-7(12)5-13-8/h1-3,7-8,13H,4-6H2/t7-,8+/m1/s1
InChIKeyOMHKYXQRAGXIBD-SFYZADRCSA-N
XLogP1.32
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.19
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

(Z)-3-fluoro-4-(6-methylpyridin-2-ylsulfonyl)but-2-en-1-amine
CID 146317756
3-Bromo-2-(piperidin-4-ylsulfonyl)-6-(trifluoromethyl)pyridine hydrochloride
CID 118598373
2-bromo-6-[[(2S,4R)-4-fluoropyrrolidin-2-yl]methylsulfinyl]pyridine
CID 126623939
(2S,4R)-2-[(6-bromo-2-pyridinyl)sulfinylmethyl]-4-fluoropyrrolidine-1-carboxylic acid
CID 126623980
(2S,4R)-2-[(6-bromo-2-pyridinyl)sulfanylmethyl]-4-fluoropyrrolidine-1-carboxylic acid
CID 126623981
(2S,4R)-2-[(6-bromo-2-pyridinyl)sulfonylmethyl]-4-fluoropyrrolidine-1-carboxylic acid
CID 126624041
tert-butyl (2S,4R)-2-[(6-bromo-2-pyridinyl)sulfonylmethyl]-4-fluoropyrrolidine-1-carboxylate
CID 140882368
3-Bromo-2-piperidin-4-ylsulfonyl-6-(trifluoromethyl)pyridine
CID 118598374
4-[(6-Bromo-2-pyridinyl)sulfonyl]aniline
CID 17896105
2-[(6-Bromo-2-pyridinyl)sulfanyl]ethanamine
CID 85776895
(2-Bromo-6-methylsulfonyl-4-pyridinyl)methanamine
CID 87232369
3-Bromo-2-(piperidin-3-ylsulfonyl)pyridine hydrochloride
CID 90319707

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-[[(2S,4R)-4-fluoropyrrolidin-2-yl]methylsulfonyl]pyridine?
The IUPAC name of 2-bromo-6-[[(2S,4R)-4-fluoropyrrolidin-2-yl]methylsulfonyl]pyridine (CID 126623757) is 2-bromo-6-[[(2S,4R)-4-fluoropyrrolidin-2-yl]methylsulfonyl]pyridine.
What is the SMILES notation for 2-bromo-6-[[(2S,4R)-4-fluoropyrrolidin-2-yl]methylsulfonyl]pyridine?
The canonical SMILES for 2-bromo-6-[[(2S,4R)-4-fluoropyrrolidin-2-yl]methylsulfonyl]pyridine is O=S(=O)(C[C@@H]1C[C@@H](F)CN1)c1cccc(Br)n1.
What is the InChIKey of 2-bromo-6-[[(2S,4R)-4-fluoropyrrolidin-2-yl]methylsulfonyl]pyridine?
The InChIKey is OMHKYXQRAGXIBD-SFYZADRCSA-N. The full InChI is InChI=1S/C10H12BrFN2O2S/c11-9-2-1-3-10(14-9)17(15,16)6-8-4-7(12)5-13-8/h1-3,7-8,13H,4-6H2/t7-,8+/m1/s1.
What are the key properties of 2-bromo-6-[[(2S,4R)-4-fluoropyrrolidin-2-yl]methylsulfonyl]pyridine?
2-bromo-6-[[(2S,4R)-4-fluoropyrrolidin-2-yl]methylsulfonyl]pyridine has a molecular weight of 323.19 g/mol, XLogP of 1.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-[[(2S,4R)-4-fluoropyrrolidin-2-yl]methylsulfonyl]pyridine is sourced from PubChem (CID 126623757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).