5-[(3-bromo-4-fluorophenyl)methoxy]pyridine-2-carbaldehyde

C13H9BrFNO2 — CID 79794837

IUPAC5-[(3-bromo-4-fluorophenyl)methoxy]pyridine-2-carbaldehyde
SMILESO=Cc1ccc(OCc2ccc(F)c(Br)c2)cn1
InChIInChI=1S/C13H9BrFNO2/c14-12-5-9(1-4-13(12)15)8-18-11-3-2-10(7-17)16-6-11/h1-7H,8H2
InChIKeyPCQWMZUMVJZBNT-UHFFFAOYSA-N
MW310.12 g/mol
LogP3.37
Rot. Bonds4

About 5-[(3-bromo-4-fluorophenyl)methoxy]pyridine-2-carbaldehyde

5-[(3-bromo-4-fluorophenyl)methoxy]pyridine-2-carbaldehyde (PubChem CID 79794837) has the molecular formula C13H9BrFNO2 and a molecular weight of 310.12 g/mol. Its IUPAC name is 5-[(3-bromo-4-fluorophenyl)methoxy]pyridine-2-carbaldehyde.

Molecular Properties

Compound Name5-[(3-bromo-4-fluorophenyl)methoxy]pyridine-2-carbaldehyde
PubChem CID79794837
Molecular FormulaC13H9BrFNO2
Molecular Weight310.12 g/mol
Exact Mass308.98
IUPAC Name5-[(3-bromo-4-fluorophenyl)methoxy]pyridine-2-carbaldehyde
SMILESO=Cc1ccc(OCc2ccc(F)c(Br)c2)cn1
InChIInChI=1S/C13H9BrFNO2/c14-12-5-9(1-4-13(12)15)8-18-11-3-2-10(7-17)16-6-11/h1-7H,8H2
InChIKeyPCQWMZUMVJZBNT-UHFFFAOYSA-N
XLogP3.37
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.12
LogP ≤ 53.37
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

5-[(3-bromophenyl)methoxy]pyridine-2-carbaldehyde
CID 79794412
5-[(3-methylphenyl)methoxy]pyridine-2-carbaldehyde
CID 79794315
2-bromo-5-[(3,4-difluorophenyl)methoxy]pyridine
CID 103695236
2-bromo-4-[(3,4-dimethylphenoxy)methyl]-1-fluorobenzene
CID 63458365
2-bromo-5-[(3,4-difluorophenyl)methoxy]benzaldehyde
CID 82918902
5-[(3-bromothiophen-2-yl)methoxy]pyridine-2-carbaldehyde
CID 79794312
2-bromo-4-[(4-bromophenyl)methoxy]-1-fluorobenzene
CID 83231614
(1S)-1-[4-[(3-bromo-4-fluorophenyl)methoxy]phenyl]ethanol
CID 78930231
4-[(3-bromo-4-fluorophenoxy)methyl]pyridazine
CID 163255021
5-[(4-chloro-2-nitrophenyl)methoxy]pyridine-2-carbaldehyde
CID 79794595
2-bromo-1-fluoro-4-[[4-(trifluoromethoxy)phenyl]methoxy]benzene
CID 83233328
5-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]pyridine-2-carbaldehyde
CID 79794226

Frequently Asked Questions

What is the IUPAC name of 5-[(3-bromo-4-fluorophenyl)methoxy]pyridine-2-carbaldehyde?
The IUPAC name of 5-[(3-bromo-4-fluorophenyl)methoxy]pyridine-2-carbaldehyde (CID 79794837) is 5-[(3-bromo-4-fluorophenyl)methoxy]pyridine-2-carbaldehyde.
What is the SMILES notation for 5-[(3-bromo-4-fluorophenyl)methoxy]pyridine-2-carbaldehyde?
The canonical SMILES for 5-[(3-bromo-4-fluorophenyl)methoxy]pyridine-2-carbaldehyde is O=Cc1ccc(OCc2ccc(F)c(Br)c2)cn1.
What is the InChIKey of 5-[(3-bromo-4-fluorophenyl)methoxy]pyridine-2-carbaldehyde?
The InChIKey is PCQWMZUMVJZBNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrFNO2/c14-12-5-9(1-4-13(12)15)8-18-11-3-2-10(7-17)16-6-11/h1-7H,8H2.
What are the key properties of 5-[(3-bromo-4-fluorophenyl)methoxy]pyridine-2-carbaldehyde?
5-[(3-bromo-4-fluorophenyl)methoxy]pyridine-2-carbaldehyde has a molecular weight of 310.12 g/mol, XLogP of 3.37, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-bromo-4-fluorophenyl)methoxy]pyridine-2-carbaldehyde is sourced from PubChem (CID 79794837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).