3-bromo-5-chloro-2-[3-(2-chloroethyl)pyrrolidin-1-yl]pyridine

C11H13BrCl2N2 — CID 114838653

IUPAC3-bromo-5-chloro-2-[3-(2-chloroethyl)pyrrolidin-1-yl]pyridine
SMILESClCCC1CCN(c2ncc(Cl)cc2Br)C1
InChIInChI=1S/C11H13BrCl2N2/c12-10-5-9(14)6-15-11(10)16-4-2-8(7-16)1-3-13/h5-6,8H,1-4,7H2
InChIKeyQWAHSOXYIYQXCF-UHFFFAOYSA-N
MW324.05 g/mol
LogP3.95
Rot. Bonds3

About 3-bromo-5-chloro-2-[3-(2-chloroethyl)pyrrolidin-1-yl]pyridine

3-bromo-5-chloro-2-[3-(2-chloroethyl)pyrrolidin-1-yl]pyridine (PubChem CID 114838653) has the molecular formula C11H13BrCl2N2 and a molecular weight of 324.05 g/mol. Its IUPAC name is 3-bromo-5-chloro-2-[3-(2-chloroethyl)pyrrolidin-1-yl]pyridine.

Molecular Properties

Compound Name3-bromo-5-chloro-2-[3-(2-chloroethyl)pyrrolidin-1-yl]pyridine
PubChem CID114838653
Molecular FormulaC11H13BrCl2N2
Molecular Weight324.05 g/mol
Exact Mass321.96
IUPAC Name3-bromo-5-chloro-2-[3-(2-chloroethyl)pyrrolidin-1-yl]pyridine
SMILESClCCC1CCN(c2ncc(Cl)cc2Br)C1
InChIInChI=1S/C11H13BrCl2N2/c12-10-5-9(14)6-15-11(10)16-4-2-8(7-16)1-3-13/h5-6,8H,1-4,7H2
InChIKeyQWAHSOXYIYQXCF-UHFFFAOYSA-N
XLogP3.95
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.05
LogP ≤ 53.95
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

3-bromo-2-[3-(2-chloroethyl)pyrrolidin-1-yl]-5-methylpyridine
CID 105368810
2-[1-(3-bromo-5-chloro-2-pyridinyl)piperidin-4-yl]ethanamine
CID 114836313
4-[[(3R)-1-(3-bromo-5-chloro-2-pyridinyl)pyrrolidin-3-yl]methyl]morpholine
CID 99789373
1-(3-bromo-5-chloro-2-pyridinyl)azetidin-3-amine
CID 114836322
5-chloro-4-[3-(2-chloroethyl)pyrrolidin-1-yl]pyrimidine
CID 105370757
5-bromo-4-[3-(2-chloroethyl)piperidin-1-yl]pyrimidine
CID 66320965
N-[[1-(3-bromo-5-chloro-2-pyridinyl)piperidin-4-yl]methyl]-2-methylpropan-1-amine
CID 114838293
1-(3-bromo-5-chloro-2-pyridinyl)-4-propan-2-ylazepane
CID 114837143
4-(3-bromo-5-chloro-2-pyridinyl)-2,6-dimethylthiomorpholine
CID 114837132
1-[4-(3-bromo-5-chloro-2-pyridinyl)morpholin-2-yl]-N-methylmethanamine
CID 114836366
1-(3-bromo-5-chloro-2-pyridinyl)-N,N-dimethylpiperidine-4-carboxamide
CID 171690791
1-(3-bromo-5-chloro-2-pyridinyl)-5-methylpiperidin-3-amine
CID 114836358

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-chloro-2-[3-(2-chloroethyl)pyrrolidin-1-yl]pyridine?
The IUPAC name of 3-bromo-5-chloro-2-[3-(2-chloroethyl)pyrrolidin-1-yl]pyridine (CID 114838653) is 3-bromo-5-chloro-2-[3-(2-chloroethyl)pyrrolidin-1-yl]pyridine.
What is the SMILES notation for 3-bromo-5-chloro-2-[3-(2-chloroethyl)pyrrolidin-1-yl]pyridine?
The canonical SMILES for 3-bromo-5-chloro-2-[3-(2-chloroethyl)pyrrolidin-1-yl]pyridine is ClCCC1CCN(c2ncc(Cl)cc2Br)C1.
What is the InChIKey of 3-bromo-5-chloro-2-[3-(2-chloroethyl)pyrrolidin-1-yl]pyridine?
The InChIKey is QWAHSOXYIYQXCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrCl2N2/c12-10-5-9(14)6-15-11(10)16-4-2-8(7-16)1-3-13/h5-6,8H,1-4,7H2.
What are the key properties of 3-bromo-5-chloro-2-[3-(2-chloroethyl)pyrrolidin-1-yl]pyridine?
3-bromo-5-chloro-2-[3-(2-chloroethyl)pyrrolidin-1-yl]pyridine has a molecular weight of 324.05 g/mol, XLogP of 3.95, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-chloro-2-[3-(2-chloroethyl)pyrrolidin-1-yl]pyridine is sourced from PubChem (CID 114838653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).