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

[4-[3-(diethylamino)pyrrolidin-1-yl]-2-pyridinyl]methanol
CID 55160483
1-[4-(4-ethylpiperidin-1-yl)-2-pyridinyl]-N-methylmethanamine
CID 62288899
[4-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-2-pyridinyl]methanol
CID 61255838
N-[[4-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-2-pyridinyl]methyl]propan-1-amine
CID 62281573
[1-(2-ethyl-4-pyridinyl)piperidin-2-yl]methanamine
CID 83837398
[4-(4-tert-butylpiperidin-1-yl)-2-pyridinyl]methanamine
CID 62298748
1-(2-chloro-4-pyridinyl)-N,N-diethylpyrrolidin-3-amine
CID 103757127
[4-(3-methoxypiperidin-1-yl)-2-pyridinyl]methanamine
CID 102955936
N-[[4-(4-propan-2-ylpiperidin-1-yl)-2-pyridinyl]methyl]cyclopropanamine
CID 103503016
[4-(3,4-dimethylpyrrolidin-1-yl)-2-pyridinyl]methanamine
CID 79182680
[4-(4-methoxypiperidin-1-yl)-2-pyridinyl]methanol
CID 61257075
N-[[4-(3-methylpiperidin-1-yl)-2-pyridinyl]methyl]cyclopropanamine
CID 62284581

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).