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

C16H17BrN2 — CID 102539234

IUPAC5-(1-benzylpyrrolidin-2-yl)-2-bromopyridine
SMILESBrc1ccc(C2CCCN2Cc2ccccc2)cn1
InChIInChI=1S/C16H17BrN2/c17-16-9-8-14(11-18-16)15-7-4-10-19(15)12-13-5-2-1-3-6-13/h1-3,5-6,8-9,11,15H,4,7,10,12H2
InChIKeyJUPLTAIGZMZQGA-UHFFFAOYSA-N
MW317.23 g/mol
LogP4.18
Rot. Bonds3

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

5-(1-benzylpyrrolidin-2-yl)-2-bromopyridine (PubChem CID 102539234) has the molecular formula C16H17BrN2 and a molecular weight of 317.23 g/mol. Its IUPAC name is 5-(1-benzylpyrrolidin-2-yl)-2-bromopyridine.

Molecular Properties

Compound Name5-(1-benzylpyrrolidin-2-yl)-2-bromopyridine
PubChem CID102539234
Molecular FormulaC16H17BrN2
Molecular Weight317.23 g/mol
Exact Mass316.06
IUPAC Name5-(1-benzylpyrrolidin-2-yl)-2-bromopyridine
SMILESBrc1ccc(C2CCCN2Cc2ccccc2)cn1
InChIInChI=1S/C16H17BrN2/c17-16-9-8-14(11-18-16)15-7-4-10-19(15)12-13-5-2-1-3-6-13/h1-3,5-6,8-9,11,15H,4,7,10,12H2
InChIKeyJUPLTAIGZMZQGA-UHFFFAOYSA-N
XLogP4.18
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.23
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-(1-benzylpiperidin-2-yl)-2-piperidin-1-ylpyridine
CID 102541519
5-(1-benzylpyrrolidin-2-yl)-N,N,3-trimethylpyridin-2-amine
CID 102542845
4-(1-benzylpyrrolidin-2-yl)benzonitrile
CID 164673724
4-[(2S)-1-benzylpyrrolidin-2-yl]-2-methylpyridine
CID 124500070
2-[(2R)-1-benzylpyrrolidin-2-yl]-5-methyl-1H-imidazole
CID 124978577
5-(1-ethylpyrrolidin-2-yl)-2-phenylmethoxypyridine
CID 102539475
4-(1-benzylpyrrolidin-2-yl)pyrimidine
CID 175656203
(2R)-1-benzyl-2-thiophen-3-ylpiperidine
CID 124500980
1-benzyl-5-[[(2S)-2-(4-fluorophenyl)pyrrolidin-1-yl]methyl]imidazole
CID 124852106
5-(1-benzylpyrrolidin-2-yl)-4-methyl-2-pyrrolidin-1-ylpyridine
CID 102542973
4-[(2S)-1-benzylpiperidin-2-yl]-2-methylpyrimidine
CID 95839904
5-(1-ethylpyrrolidin-2-yl)-N-phenylpyridin-2-amine
CID 102540510

Frequently Asked Questions

What is the IUPAC name of 5-(1-benzylpyrrolidin-2-yl)-2-bromopyridine?
The IUPAC name of 5-(1-benzylpyrrolidin-2-yl)-2-bromopyridine (CID 102539234) is 5-(1-benzylpyrrolidin-2-yl)-2-bromopyridine.
What is the SMILES notation for 5-(1-benzylpyrrolidin-2-yl)-2-bromopyridine?
The canonical SMILES for 5-(1-benzylpyrrolidin-2-yl)-2-bromopyridine is Brc1ccc(C2CCCN2Cc2ccccc2)cn1.
What is the InChIKey of 5-(1-benzylpyrrolidin-2-yl)-2-bromopyridine?
The InChIKey is JUPLTAIGZMZQGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2/c17-16-9-8-14(11-18-16)15-7-4-10-19(15)12-13-5-2-1-3-6-13/h1-3,5-6,8-9,11,15H,4,7,10,12H2.
What are the key properties of 5-(1-benzylpyrrolidin-2-yl)-2-bromopyridine?
5-(1-benzylpyrrolidin-2-yl)-2-bromopyridine has a molecular weight of 317.23 g/mol, XLogP of 4.18, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-benzylpyrrolidin-2-yl)-2-bromopyridine is sourced from PubChem (CID 102539234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).