2-(5-bromo-2-fluorophenoxy)quinoline-3-carbaldehyde

C16H9BrFNO2 — CID 114673914

IUPAC2-(5-bromo-2-fluorophenoxy)quinoline-3-carbaldehyde
SMILESO=Cc1cc2ccccc2nc1Oc1cc(Br)ccc1F
InChIInChI=1S/C16H9BrFNO2/c17-12-5-6-13(18)15(8-12)21-16-11(9-20)7-10-3-1-2-4-14(10)19-16/h1-9H
InChIKeyZRNYFTYWTBXAPD-UHFFFAOYSA-N
MW346.16 g/mol
LogP4.74
Rot. Bonds3

About 2-(5-bromo-2-fluorophenoxy)quinoline-3-carbaldehyde

2-(5-bromo-2-fluorophenoxy)quinoline-3-carbaldehyde (PubChem CID 114673914) has the molecular formula C16H9BrFNO2 and a molecular weight of 346.16 g/mol. Its IUPAC name is 2-(5-bromo-2-fluorophenoxy)quinoline-3-carbaldehyde.

Molecular Properties

Compound Name2-(5-bromo-2-fluorophenoxy)quinoline-3-carbaldehyde
PubChem CID114673914
Molecular FormulaC16H9BrFNO2
Molecular Weight346.16 g/mol
Exact Mass344.98
IUPAC Name2-(5-bromo-2-fluorophenoxy)quinoline-3-carbaldehyde
SMILESO=Cc1cc2ccccc2nc1Oc1cc(Br)ccc1F
InChIInChI=1S/C16H9BrFNO2/c17-12-5-6-13(18)15(8-12)21-16-11(9-20)7-10-3-1-2-4-14(10)19-16/h1-9H
InChIKeyZRNYFTYWTBXAPD-UHFFFAOYSA-N
XLogP4.74
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.16
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-Methoxyquinoline-3-carbaldehyde
CID 838868
2-Ethoxyquinoline-3-carbaldehyde
CID 2404988
2,7-Dimethoxyquinoline-3-carbaldehyde
CID 3159668
Ethyl 7-[(3-fluorophenyl)methoxy]-2-methylquinoline-3-carboxylate
CID 86301014
Ethyl 7-((4-fluorobenzyl)oxy)-2-methylquinoline-3-carboxylate
CID 86301015
Ethyl [(3-acetyl-6-bromo-4-phenylquinolin-2-yl)oxy]acetate
CID 1068824
2-Phenoxyquinoline-3-carbaldehyde
CID 28951918
1-(2-Methoxyquinolin-3-yl)ethan-1-one
CID 11413002
2-(4-Methylphenoxy)quinoline-3-carbaldehyde
CID 28951695
2-(4-Chlorophenoxy)quinoline-3-carbaldehyde
CID 28951868
4-(3-Formylquinolin-2-yl)oxybenzonitrile
CID 28951925
6-Methyl-2-(4-methylphenoxy)quinoline-3-carbaldehyde
CID 54578937

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-fluorophenoxy)quinoline-3-carbaldehyde?
The IUPAC name of 2-(5-bromo-2-fluorophenoxy)quinoline-3-carbaldehyde (CID 114673914) is 2-(5-bromo-2-fluorophenoxy)quinoline-3-carbaldehyde.
What is the SMILES notation for 2-(5-bromo-2-fluorophenoxy)quinoline-3-carbaldehyde?
The canonical SMILES for 2-(5-bromo-2-fluorophenoxy)quinoline-3-carbaldehyde is O=Cc1cc2ccccc2nc1Oc1cc(Br)ccc1F.
What is the InChIKey of 2-(5-bromo-2-fluorophenoxy)quinoline-3-carbaldehyde?
The InChIKey is ZRNYFTYWTBXAPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9BrFNO2/c17-12-5-6-13(18)15(8-12)21-16-11(9-20)7-10-3-1-2-4-14(10)19-16/h1-9H.
What are the key properties of 2-(5-bromo-2-fluorophenoxy)quinoline-3-carbaldehyde?
2-(5-bromo-2-fluorophenoxy)quinoline-3-carbaldehyde has a molecular weight of 346.16 g/mol, XLogP of 4.74, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-fluorophenoxy)quinoline-3-carbaldehyde is sourced from PubChem (CID 114673914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).