4-(3-bromopyrrolidin-1-yl)-2-ethylpyridine

C11H15BrN2 — CID 126993883

IUPAC4-(3-bromopyrrolidin-1-yl)-2-ethylpyridine
SMILESCCc1cc(N2CCC(Br)C2)ccn1
InChIInChI=1S/C11H15BrN2/c1-2-10-7-11(3-5-13-10)14-6-4-9(12)8-14/h3,5,7,9H,2,4,6,8H2,1H3
InChIKeyDFYAZDDLYCZMGG-UHFFFAOYSA-N
MW255.16 g/mol
LogP2.62
Rot. Bonds2

About 4-(3-bromopyrrolidin-1-yl)-2-ethylpyridine

4-(3-bromopyrrolidin-1-yl)-2-ethylpyridine (PubChem CID 126993883) has the molecular formula C11H15BrN2 and a molecular weight of 255.16 g/mol. Its IUPAC name is 4-(3-bromopyrrolidin-1-yl)-2-ethylpyridine.

Molecular Properties

Compound Name4-(3-bromopyrrolidin-1-yl)-2-ethylpyridine
PubChem CID126993883
Molecular FormulaC11H15BrN2
Molecular Weight255.16 g/mol
Exact Mass254.04
IUPAC Name4-(3-bromopyrrolidin-1-yl)-2-ethylpyridine
SMILESCCc1cc(N2CCC(Br)C2)ccn1
InChIInChI=1S/C11H15BrN2/c1-2-10-7-11(3-5-13-10)14-6-4-9(12)8-14/h3,5,7,9H,2,4,6,8H2,1H3
InChIKeyDFYAZDDLYCZMGG-UHFFFAOYSA-N
XLogP2.62
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.16
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-Propylpyridine
CID 69320
2-Pentylpyridine
CID 16800
4-(Dimethylamino)pyridine
CID 14284
2-Ethylpyridine
CID 7523
2-Butylpyridine
CID 78750
2-(2-Pyrrolidinoethyl)pyridine
CID 238317
2-Hexylpyridine
CID 70797
2-(2-(1-Piperidinyl)ethyl)pyridine
CID 79548
N,N-dimethylpyridine-2-ethylamine
CID 80554
2-(Dimethylaminomethyl)-pyridine
CID 252482
4-Pyrrolidinopyridine
CID 75567
2-(Diethylaminomethyl)-pyridine
CID 253822

Frequently Asked Questions

What is the IUPAC name of 4-(3-bromopyrrolidin-1-yl)-2-ethylpyridine?
The IUPAC name of 4-(3-bromopyrrolidin-1-yl)-2-ethylpyridine (CID 126993883) is 4-(3-bromopyrrolidin-1-yl)-2-ethylpyridine.
What is the SMILES notation for 4-(3-bromopyrrolidin-1-yl)-2-ethylpyridine?
The canonical SMILES for 4-(3-bromopyrrolidin-1-yl)-2-ethylpyridine is CCc1cc(N2CCC(Br)C2)ccn1.
What is the InChIKey of 4-(3-bromopyrrolidin-1-yl)-2-ethylpyridine?
The InChIKey is DFYAZDDLYCZMGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2/c1-2-10-7-11(3-5-13-10)14-6-4-9(12)8-14/h3,5,7,9H,2,4,6,8H2,1H3.
What are the key properties of 4-(3-bromopyrrolidin-1-yl)-2-ethylpyridine?
4-(3-bromopyrrolidin-1-yl)-2-ethylpyridine has a molecular weight of 255.16 g/mol, XLogP of 2.62, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromopyrrolidin-1-yl)-2-ethylpyridine is sourced from PubChem (CID 126993883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).