2-(1-benzylpyrrolidin-3-yl)oxy-5-bromopyridine

C16H17BrN2O — CID 62918212

IUPAC2-(1-benzylpyrrolidin-3-yl)oxy-5-bromopyridine
SMILESBrc1ccc(OC2CCN(Cc3ccccc3)C2)nc1
InChIInChI=1S/C16H17BrN2O/c17-14-6-7-16(18-10-14)20-15-8-9-19(12-15)11-13-4-2-1-3-5-13/h1-7,10,15H,8-9,11-12H2
InChIKeyKZUFDNKUDBUPIN-UHFFFAOYSA-N
MW333.23 g/mol
LogP3.50
Rot. Bonds4

About 2-(1-benzylpyrrolidin-3-yl)oxy-5-bromopyridine

2-(1-benzylpyrrolidin-3-yl)oxy-5-bromopyridine (PubChem CID 62918212) has the molecular formula C16H17BrN2O and a molecular weight of 333.23 g/mol. Its IUPAC name is 2-(1-benzylpyrrolidin-3-yl)oxy-5-bromopyridine.

Molecular Properties

Compound Name2-(1-benzylpyrrolidin-3-yl)oxy-5-bromopyridine
PubChem CID62918212
Molecular FormulaC16H17BrN2O
Molecular Weight333.23 g/mol
Exact Mass332.05
IUPAC Name2-(1-benzylpyrrolidin-3-yl)oxy-5-bromopyridine
SMILESBrc1ccc(OC2CCN(Cc3ccccc3)C2)nc1
InChIInChI=1S/C16H17BrN2O/c17-14-6-7-16(18-10-14)20-15-8-9-19(12-15)11-13-4-2-1-3-5-13/h1-7,10,15H,8-9,11-12H2
InChIKeyKZUFDNKUDBUPIN-UHFFFAOYSA-N
XLogP3.50
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.23
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(1-benzylpyrrolidin-3-yl)oxy-5-bromopyrimidin-2-amine
CID 80879763
2-(1-benzylpyrrolidin-3-yl)oxy-6-fluoropyridine
CID 62916852
2-(1-benzylpyrrolidin-3-yl)oxypyridin-3-amine
CID 62911300
O-(1-benzylpyrrolidin-3-yl)hydroxylamine;hydrochloride
CID 142714057
N-(1-benzylpiperidin-4-yl)-5-bromopyridin-2-amine
CID 29049157
2-[1-[(4-bromophenyl)methyl]pyrrolidin-3-yl]oxy-5-methoxypyrimidine
CID 163346232
5-bromo-2-(1-chloroazetidin-3-yl)oxypyridine
CID 88564773
(3R)-1-benzyl-3-methoxypyrrolidine
CID 157327886
4-(1-benzylpyrrolidin-3-yl)oxy-3-bromoaniline
CID 62916334
[3-(1-benzylpyrrolidin-3-yl)oxypyrazin-2-yl]methanamine
CID 62911298
2-(1-benzylpyrrolidin-3-yl)oxy-5-methylpyridin-3-amine
CID 66281326
2-fluoro-6-[1-[(6-methoxy-3-pyridinyl)methyl]pyrrolidin-3-yl]oxypyridine
CID 171999952

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzylpyrrolidin-3-yl)oxy-5-bromopyridine?
The IUPAC name of 2-(1-benzylpyrrolidin-3-yl)oxy-5-bromopyridine (CID 62918212) is 2-(1-benzylpyrrolidin-3-yl)oxy-5-bromopyridine.
What is the SMILES notation for 2-(1-benzylpyrrolidin-3-yl)oxy-5-bromopyridine?
The canonical SMILES for 2-(1-benzylpyrrolidin-3-yl)oxy-5-bromopyridine is Brc1ccc(OC2CCN(Cc3ccccc3)C2)nc1.
What is the InChIKey of 2-(1-benzylpyrrolidin-3-yl)oxy-5-bromopyridine?
The InChIKey is KZUFDNKUDBUPIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2O/c17-14-6-7-16(18-10-14)20-15-8-9-19(12-15)11-13-4-2-1-3-5-13/h1-7,10,15H,8-9,11-12H2.
What are the key properties of 2-(1-benzylpyrrolidin-3-yl)oxy-5-bromopyridine?
2-(1-benzylpyrrolidin-3-yl)oxy-5-bromopyridine has a molecular weight of 333.23 g/mol, XLogP of 3.50, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzylpyrrolidin-3-yl)oxy-5-bromopyridine is sourced from PubChem (CID 62918212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).