2-(5-bromo-2-chlorophenoxy)-3-(bromomethyl)quinoline

C16H10Br2ClNO — CID 107088617

IUPAC2-(5-bromo-2-chlorophenoxy)-3-(bromomethyl)quinoline
SMILESClc1ccc(Br)cc1Oc1nc2ccccc2cc1CBr
InChIInChI=1S/C16H10Br2ClNO/c17-9-11-7-10-3-1-2-4-14(10)20-16(11)21-15-8-12(18)5-6-13(15)19/h1-8H,9H2
InChIKeyZMVIEDKJTMCKFD-UHFFFAOYSA-N
MW427.52 g/mol
LogP6.34
Rot. Bonds3

About 2-(5-bromo-2-chlorophenoxy)-3-(bromomethyl)quinoline

2-(5-bromo-2-chlorophenoxy)-3-(bromomethyl)quinoline (PubChem CID 107088617) has the molecular formula C16H10Br2ClNO and a molecular weight of 427.52 g/mol. Its IUPAC name is 2-(5-bromo-2-chlorophenoxy)-3-(bromomethyl)quinoline.

Molecular Properties

Compound Name2-(5-bromo-2-chlorophenoxy)-3-(bromomethyl)quinoline
PubChem CID107088617
Molecular FormulaC16H10Br2ClNO
Molecular Weight427.52 g/mol
Exact Mass424.88
IUPAC Name2-(5-bromo-2-chlorophenoxy)-3-(bromomethyl)quinoline
SMILESClc1ccc(Br)cc1Oc1nc2ccccc2cc1CBr
InChIInChI=1S/C16H10Br2ClNO/c17-9-11-7-10-3-1-2-4-14(10)20-16(11)21-15-8-12(18)5-6-13(15)19/h1-8H,9H2
InChIKeyZMVIEDKJTMCKFD-UHFFFAOYSA-N
XLogP6.34
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.52
LogP ≤ 56.34
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-(bromomethyl)-2-(2-chlorophenoxy)quinoline
CID 107086929
3-(bromomethyl)-2-(2,4-dichlorophenoxy)quinoline
CID 107087175
[2-(2,5-dichlorophenoxy)quinolin-3-yl]methanol
CID 28964083
[2-(2,4-dibromophenoxy)quinolin-3-yl]methanamine
CID 64718621
2-(5-bromo-2-chlorophenoxy)quinazoline
CID 114788780
3-(bromomethyl)-2-(4-bromo-3-methylphenoxy)quinoline
CID 107089091
4-(5-bromo-2-chlorophenoxy)-5-chloro-N-methylpyrimidin-2-amine
CID 80879248
[4-(5-bromo-2-chlorophenoxy)-2-methylpyrimidin-5-yl]methanol
CID 114215312
4-(5-bromo-2-chlorophenoxy)-5-chloropyrimidin-2-amine
CID 80880367
3-[(4-bromo-3-chlorophenyl)methyl]-2-methoxyquinoline
CID 166457860
[2-[3-(hydroxymethyl)quinolin-2-yl]oxyphenyl]methanol
CID 63653966
4-(5-bromo-2-chlorophenoxy)-N,5-dimethylpyrimidin-2-amine
CID 80878835

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-chlorophenoxy)-3-(bromomethyl)quinoline?
The IUPAC name of 2-(5-bromo-2-chlorophenoxy)-3-(bromomethyl)quinoline (CID 107088617) is 2-(5-bromo-2-chlorophenoxy)-3-(bromomethyl)quinoline.
What is the SMILES notation for 2-(5-bromo-2-chlorophenoxy)-3-(bromomethyl)quinoline?
The canonical SMILES for 2-(5-bromo-2-chlorophenoxy)-3-(bromomethyl)quinoline is Clc1ccc(Br)cc1Oc1nc2ccccc2cc1CBr.
What is the InChIKey of 2-(5-bromo-2-chlorophenoxy)-3-(bromomethyl)quinoline?
The InChIKey is ZMVIEDKJTMCKFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10Br2ClNO/c17-9-11-7-10-3-1-2-4-14(10)20-16(11)21-15-8-12(18)5-6-13(15)19/h1-8H,9H2.
What are the key properties of 2-(5-bromo-2-chlorophenoxy)-3-(bromomethyl)quinoline?
2-(5-bromo-2-chlorophenoxy)-3-(bromomethyl)quinoline has a molecular weight of 427.52 g/mol, XLogP of 6.34, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-chlorophenoxy)-3-(bromomethyl)quinoline is sourced from PubChem (CID 107088617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).