2-bromo-3-(2-chloroethyl)quinoline

C11H9BrClN — CID 116985321

IUPAC2-bromo-3-(2-chloroethyl)quinoline
SMILESClCCc1cc2ccccc2nc1Br
InChIInChI=1S/C11H9BrClN/c12-11-9(5-6-13)7-8-3-1-2-4-10(8)14-11/h1-4,7H,5-6H2
InChIKeyBXTNFRRAUJQWOL-UHFFFAOYSA-N
MW270.56 g/mol
LogP3.78
Rot. Bonds2

About 2-bromo-3-(2-chloroethyl)quinoline

2-bromo-3-(2-chloroethyl)quinoline (PubChem CID 116985321) has the molecular formula C11H9BrClN and a molecular weight of 270.56 g/mol. Its IUPAC name is 2-bromo-3-(2-chloroethyl)quinoline.

Molecular Properties

Compound Name2-bromo-3-(2-chloroethyl)quinoline
PubChem CID116985321
Molecular FormulaC11H9BrClN
Molecular Weight270.56 g/mol
Exact Mass268.96
IUPAC Name2-bromo-3-(2-chloroethyl)quinoline
SMILESClCCc1cc2ccccc2nc1Br
InChIInChI=1S/C11H9BrClN/c12-11-9(5-6-13)7-8-3-1-2-4-10(8)14-11/h1-4,7H,5-6H2
InChIKeyBXTNFRRAUJQWOL-UHFFFAOYSA-N
XLogP3.78
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.56
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-azido-3-(2-chloroethyl)quinoline
CID 95994762
3-[2-bromo-3-(2-chloroethyl)phenoxy]-2-methylquinoline
CID 129079709
2-bromo-3-(2-bromophenyl)quinoline
CID 170972432
N-[(2-bromoquinolin-3-yl)methyl]-2,2-bis(phenylsulfanyl)ethenamine
CID 11134597
2-(2-chloroquinolin-3-yl)ethanol
CID 116985217
acridine
CID 21226281
(2-chloroquinolin-3-yl)methanamine
CID 71748539
2-(2-bromoquinolin-3-yl)propan-1-amine
CID 116985284
2-bromo-3-(1-bromoethyl)quinoline
CID 22745004
[1-(2-bromoquinolin-3-yl)cyclobutyl]methanol
CID 116985380
acridine;methane
CID 21324126
acridine;sulfane
CID 159134653

Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-(2-chloroethyl)quinoline?
The IUPAC name of 2-bromo-3-(2-chloroethyl)quinoline (CID 116985321) is 2-bromo-3-(2-chloroethyl)quinoline.
What is the SMILES notation for 2-bromo-3-(2-chloroethyl)quinoline?
The canonical SMILES for 2-bromo-3-(2-chloroethyl)quinoline is ClCCc1cc2ccccc2nc1Br.
What is the InChIKey of 2-bromo-3-(2-chloroethyl)quinoline?
The InChIKey is BXTNFRRAUJQWOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrClN/c12-11-9(5-6-13)7-8-3-1-2-4-10(8)14-11/h1-4,7H,5-6H2.
What are the key properties of 2-bromo-3-(2-chloroethyl)quinoline?
2-bromo-3-(2-chloroethyl)quinoline has a molecular weight of 270.56 g/mol, XLogP of 3.78, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3-(2-chloroethyl)quinoline is sourced from PubChem (CID 116985321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).