2-bromo-6-[(3S,4R)-4-methylpyrrolidin-3-yl]oxypyridine

C10H13BrN2O — CID 121284132

IUPAC2-bromo-6-[(3S,4R)-4-methylpyrrolidin-3-yl]oxypyridine
SMILESC[C@@H]1CNC[C@H]1Oc1cccc(Br)n1
InChIInChI=1S/C10H13BrN2O/c1-7-5-12-6-8(7)14-10-4-2-3-9(11)13-10/h2-4,7-8,12H,5-6H2,1H3/t7-,8-/m1/s1
InChIKeyJWPZGZNKXCJKAL-HTQZYQBOSA-N
MW257.13 g/mol
LogP1.83
Rot. Bonds2

About 2-bromo-6-[(3S,4R)-4-methylpyrrolidin-3-yl]oxypyridine

2-bromo-6-[(3S,4R)-4-methylpyrrolidin-3-yl]oxypyridine (PubChem CID 121284132) has the molecular formula C10H13BrN2O and a molecular weight of 257.13 g/mol. Its IUPAC name is 2-bromo-6-[(3S,4R)-4-methylpyrrolidin-3-yl]oxypyridine.

Molecular Properties

Compound Name2-bromo-6-[(3S,4R)-4-methylpyrrolidin-3-yl]oxypyridine
PubChem CID121284132
Molecular FormulaC10H13BrN2O
Molecular Weight257.13 g/mol
Exact Mass256.02
IUPAC Name2-bromo-6-[(3S,4R)-4-methylpyrrolidin-3-yl]oxypyridine
SMILESC[C@@H]1CNC[C@H]1Oc1cccc(Br)n1
InChIInChI=1S/C10H13BrN2O/c1-7-5-12-6-8(7)14-10-4-2-3-9(11)13-10/h2-4,7-8,12H,5-6H2,1H3/t7-,8-/m1/s1
InChIKeyJWPZGZNKXCJKAL-HTQZYQBOSA-N
XLogP1.83
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.13
LogP ≤ 51.83
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-[(3S,4R)-4-methylpyrrolidin-3-yl]oxypyridine?
The IUPAC name of 2-bromo-6-[(3S,4R)-4-methylpyrrolidin-3-yl]oxypyridine (CID 121284132) is 2-bromo-6-[(3S,4R)-4-methylpyrrolidin-3-yl]oxypyridine.
What is the SMILES notation for 2-bromo-6-[(3S,4R)-4-methylpyrrolidin-3-yl]oxypyridine?
The canonical SMILES for 2-bromo-6-[(3S,4R)-4-methylpyrrolidin-3-yl]oxypyridine is C[C@@H]1CNC[C@H]1Oc1cccc(Br)n1.
What is the InChIKey of 2-bromo-6-[(3S,4R)-4-methylpyrrolidin-3-yl]oxypyridine?
The InChIKey is JWPZGZNKXCJKAL-HTQZYQBOSA-N. The full InChI is InChI=1S/C10H13BrN2O/c1-7-5-12-6-8(7)14-10-4-2-3-9(11)13-10/h2-4,7-8,12H,5-6H2,1H3/t7-,8-/m1/s1.
What are the key properties of 2-bromo-6-[(3S,4R)-4-methylpyrrolidin-3-yl]oxypyridine?
2-bromo-6-[(3S,4R)-4-methylpyrrolidin-3-yl]oxypyridine has a molecular weight of 257.13 g/mol, XLogP of 1.83, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-[(3S,4R)-4-methylpyrrolidin-3-yl]oxypyridine is sourced from PubChem (CID 121284132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).