6-(5-bromo-2-fluorophenoxy)pyridine-3-carbaldehyde

C12H7BrFNO2 — CID 114673917

IUPAC6-(5-bromo-2-fluorophenoxy)pyridine-3-carbaldehyde
SMILESO=Cc1ccc(Oc2cc(Br)ccc2F)nc1
InChIInChI=1S/C12H7BrFNO2/c13-9-2-3-10(14)11(5-9)17-12-4-1-8(7-16)6-15-12/h1-7H
InChIKeyFRFPZLQXOBKZAA-UHFFFAOYSA-N
MW296.10 g/mol
LogP3.59
Rot. Bonds3

About 6-(5-bromo-2-fluorophenoxy)pyridine-3-carbaldehyde

6-(5-bromo-2-fluorophenoxy)pyridine-3-carbaldehyde (PubChem CID 114673917) has the molecular formula C12H7BrFNO2 and a molecular weight of 296.10 g/mol. Its IUPAC name is 6-(5-bromo-2-fluorophenoxy)pyridine-3-carbaldehyde.

Molecular Properties

Compound Name6-(5-bromo-2-fluorophenoxy)pyridine-3-carbaldehyde
PubChem CID114673917
Molecular FormulaC12H7BrFNO2
Molecular Weight296.10 g/mol
Exact Mass294.96
IUPAC Name6-(5-bromo-2-fluorophenoxy)pyridine-3-carbaldehyde
SMILESO=Cc1ccc(Oc2cc(Br)ccc2F)nc1
InChIInChI=1S/C12H7BrFNO2/c13-9-2-3-10(14)11(5-9)17-12-4-1-8(7-16)6-15-12/h1-7H
InChIKeyFRFPZLQXOBKZAA-UHFFFAOYSA-N
XLogP3.59
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.10
LogP ≤ 53.59
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

6-(4-bromo-2-chlorophenoxy)pyridine-3-carbaldehyde
CID 80631140
4-(5-bromo-2-fluorophenoxy)-3-fluorobenzaldehyde
CID 114673909
6-(2-fluoro-5-methyl-4-nitrophenoxy)pyridine-3-carbaldehyde
CID 114417003
2-(5-bromo-2-fluorophenoxy)-5-formylbenzonitrile
CID 114063362
2-(5-bromo-2-fluorophenoxy)acetaldehyde
CID 114674078
6-[2-(trifluoromethoxy)phenoxy]pyridine-3-carbaldehyde
CID 172879445
4-(4-bromo-2-fluorophenoxy)benzaldehyde
CID 15143249
2-(5-bromo-2-fluorophenoxy)-5-(bromomethyl)pyrimidine
CID 107089324
6-(4-chloro-2,6-dimethylphenoxy)pyridine-3-carbaldehyde
CID 80632849
6-(5-bromo-2-fluorophenoxy)pyridazine-3-carboxylic acid
CID 114672035
5-chloro-2-(2,4-dibromophenoxy)pyridine
CID 66232099
2-(5-bromo-2-fluorophenoxy)-6-fluoropyridine
CID 114672244

Frequently Asked Questions

What is the IUPAC name of 6-(5-bromo-2-fluorophenoxy)pyridine-3-carbaldehyde?
The IUPAC name of 6-(5-bromo-2-fluorophenoxy)pyridine-3-carbaldehyde (CID 114673917) is 6-(5-bromo-2-fluorophenoxy)pyridine-3-carbaldehyde.
What is the SMILES notation for 6-(5-bromo-2-fluorophenoxy)pyridine-3-carbaldehyde?
The canonical SMILES for 6-(5-bromo-2-fluorophenoxy)pyridine-3-carbaldehyde is O=Cc1ccc(Oc2cc(Br)ccc2F)nc1.
What is the InChIKey of 6-(5-bromo-2-fluorophenoxy)pyridine-3-carbaldehyde?
The InChIKey is FRFPZLQXOBKZAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7BrFNO2/c13-9-2-3-10(14)11(5-9)17-12-4-1-8(7-16)6-15-12/h1-7H.
What are the key properties of 6-(5-bromo-2-fluorophenoxy)pyridine-3-carbaldehyde?
6-(5-bromo-2-fluorophenoxy)pyridine-3-carbaldehyde has a molecular weight of 296.10 g/mol, XLogP of 3.59, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-bromo-2-fluorophenoxy)pyridine-3-carbaldehyde is sourced from PubChem (CID 114673917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).