2-[2-(5-bromo-2-chlorophenyl)-2-chloroethyl]quinoline

C17H12BrCl2N — CID 66460552

IUPAC2-[2-(5-bromo-2-chlorophenyl)-2-chloroethyl]quinoline
SMILESClc1ccc(Br)cc1C(Cl)Cc1ccc2ccccc2n1
InChIInChI=1S/C17H12BrCl2N/c18-12-6-8-15(19)14(9-12)16(20)10-13-7-5-11-3-1-2-4-17(11)21-13/h1-9,16H,10H2
InChIKeyMFHRNIOVYHETPX-UHFFFAOYSA-N
MW381.10 g/mol
LogP6.17
Rot. Bonds3

About 2-[2-(5-bromo-2-chlorophenyl)-2-chloroethyl]quinoline

2-[2-(5-bromo-2-chlorophenyl)-2-chloroethyl]quinoline (PubChem CID 66460552) has the molecular formula C17H12BrCl2N and a molecular weight of 381.10 g/mol. Its IUPAC name is 2-[2-(5-bromo-2-chlorophenyl)-2-chloroethyl]quinoline.

Molecular Properties

Compound Name2-[2-(5-bromo-2-chlorophenyl)-2-chloroethyl]quinoline
PubChem CID66460552
Molecular FormulaC17H12BrCl2N
Molecular Weight381.10 g/mol
Exact Mass378.95
IUPAC Name2-[2-(5-bromo-2-chlorophenyl)-2-chloroethyl]quinoline
SMILESClc1ccc(Br)cc1C(Cl)Cc1ccc2ccccc2n1
InChIInChI=1S/C17H12BrCl2N/c18-12-6-8-15(19)14(9-12)16(20)10-13-7-5-11-3-1-2-4-17(11)21-13/h1-9,16H,10H2
InChIKeyMFHRNIOVYHETPX-UHFFFAOYSA-N
XLogP6.17
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.10
LogP ≤ 56.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(5-bromo-2-methylphenyl)-2-chloroethyl]quinoline
CID 66459957
2-[2-chloro-2-(2-chloro-3-fluorophenyl)ethyl]quinoline
CID 81451336
1-(2,5-dichlorophenyl)-2-quinolin-2-ylethanamine
CID 43118742
2-[2-chloro-2-(3-chlorothiophen-2-yl)ethyl]quinoline
CID 80642666
2-[2-chloro-2-(4,5-dibromothiophen-2-yl)ethyl]quinoline
CID 80538265
2-[1-(2-chlorophenyl)-2-quinolin-2-ylethyl]propanedinitrile
CID 135027760
4-bromo-2-chloro-N-(quinolin-2-ylmethyl)aniline
CID 43236879
4-bromo-1-chloro-2-[1-chloro-2-(2-methylphenyl)ethyl]benzene
CID 55224259
2-[2-bromo-2-(2,4-dichlorophenyl)ethyl]quinoline
CID 66459431
2-[2-bromo-2-(3-bromophenyl)ethyl]quinoline
CID 66461440
2-[2-chloro-2-(3-iodophenyl)ethyl]quinoline
CID 66460157
1-(2-bromo-4-chlorophenyl)-2-quinolin-2-ylethanamine
CID 107989064

Frequently Asked Questions

What is the IUPAC name of 2-[2-(5-bromo-2-chlorophenyl)-2-chloroethyl]quinoline?
The IUPAC name of 2-[2-(5-bromo-2-chlorophenyl)-2-chloroethyl]quinoline (CID 66460552) is 2-[2-(5-bromo-2-chlorophenyl)-2-chloroethyl]quinoline.
What is the SMILES notation for 2-[2-(5-bromo-2-chlorophenyl)-2-chloroethyl]quinoline?
The canonical SMILES for 2-[2-(5-bromo-2-chlorophenyl)-2-chloroethyl]quinoline is Clc1ccc(Br)cc1C(Cl)Cc1ccc2ccccc2n1.
What is the InChIKey of 2-[2-(5-bromo-2-chlorophenyl)-2-chloroethyl]quinoline?
The InChIKey is MFHRNIOVYHETPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12BrCl2N/c18-12-6-8-15(19)14(9-12)16(20)10-13-7-5-11-3-1-2-4-17(11)21-13/h1-9,16H,10H2.
What are the key properties of 2-[2-(5-bromo-2-chlorophenyl)-2-chloroethyl]quinoline?
2-[2-(5-bromo-2-chlorophenyl)-2-chloroethyl]quinoline has a molecular weight of 381.10 g/mol, XLogP of 6.17, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(5-bromo-2-chlorophenyl)-2-chloroethyl]quinoline is sourced from PubChem (CID 66460552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).