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

C10H12BrFN2OS — CID 126623939

IUPAC2-bromo-6-[[(2S,4R)-4-fluoropyrrolidin-2-yl]methylsulfinyl]pyridine
SMILESO=S(C[C@@H]1C[C@@H](F)CN1)c1cccc(Br)n1
InChIInChI=1S/C10H12BrFN2OS/c11-9-2-1-3-10(14-9)16(15)6-8-4-7(12)5-13-8/h1-3,7-8,13H,4-6H2/t7-,8+,16?/m1/s1
InChIKeyRPNOOWMMSVCIMO-PIFIWIIXSA-N
MW307.19 g/mol
LogP1.65
Rot. Bonds3

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

2-bromo-6-[[(2S,4R)-4-fluoropyrrolidin-2-yl]methylsulfinyl]pyridine (PubChem CID 126623939) has the molecular formula C10H12BrFN2OS and a molecular weight of 307.19 g/mol. Its IUPAC name is 2-bromo-6-[[(2S,4R)-4-fluoropyrrolidin-2-yl]methylsulfinyl]pyridine.

Molecular Properties

Compound Name2-bromo-6-[[(2S,4R)-4-fluoropyrrolidin-2-yl]methylsulfinyl]pyridine
PubChem CID126623939
Molecular FormulaC10H12BrFN2OS
Molecular Weight307.19 g/mol
Exact Mass305.98
IUPAC Name2-bromo-6-[[(2S,4R)-4-fluoropyrrolidin-2-yl]methylsulfinyl]pyridine
SMILESO=S(C[C@@H]1C[C@@H](F)CN1)c1cccc(Br)n1
InChIInChI=1S/C10H12BrFN2OS/c11-9-2-1-3-10(14-9)16(15)6-8-4-7(12)5-13-8/h1-3,7-8,13H,4-6H2/t7-,8+,16?/m1/s1
InChIKeyRPNOOWMMSVCIMO-PIFIWIIXSA-N
XLogP1.65
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.19
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-[[(2S,4R)-4-fluoropyrrolidin-2-yl]methylsulfinyl]pyridine?
The IUPAC name of 2-bromo-6-[[(2S,4R)-4-fluoropyrrolidin-2-yl]methylsulfinyl]pyridine (CID 126623939) is 2-bromo-6-[[(2S,4R)-4-fluoropyrrolidin-2-yl]methylsulfinyl]pyridine.
What is the SMILES notation for 2-bromo-6-[[(2S,4R)-4-fluoropyrrolidin-2-yl]methylsulfinyl]pyridine?
The canonical SMILES for 2-bromo-6-[[(2S,4R)-4-fluoropyrrolidin-2-yl]methylsulfinyl]pyridine is O=S(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]methylsulfinyl]pyridine?
The InChIKey is RPNOOWMMSVCIMO-PIFIWIIXSA-N. The full InChI is InChI=1S/C10H12BrFN2OS/c11-9-2-1-3-10(14-9)16(15)6-8-4-7(12)5-13-8/h1-3,7-8,13H,4-6H2/t7-,8+,16?/m1/s1.
What are the key properties of 2-bromo-6-[[(2S,4R)-4-fluoropyrrolidin-2-yl]methylsulfinyl]pyridine?
2-bromo-6-[[(2S,4R)-4-fluoropyrrolidin-2-yl]methylsulfinyl]pyridine has a molecular weight of 307.19 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-[[(2S,4R)-4-fluoropyrrolidin-2-yl]methylsulfinyl]pyridine is sourced from PubChem (CID 126623939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).