4-[(5-bromo-3-pyridinyl)methoxy]-3-ethoxybenzaldehyde

C15H14BrNO3 — CID 115580518

IUPAC4-[(5-bromo-3-pyridinyl)methoxy]-3-ethoxybenzaldehyde
SMILESCCOc1cc(C=O)ccc1OCc1cncc(Br)c1
InChIInChI=1S/C15H14BrNO3/c1-2-19-15-6-11(9-18)3-4-14(15)20-10-12-5-13(16)8-17-7-12/h3-9H,2,10H2,1H3
InChIKeyFTAFWXSXUJFXLF-UHFFFAOYSA-N
MW336.19 g/mol
LogP3.63
Rot. Bonds6

About 4-[(5-bromo-3-pyridinyl)methoxy]-3-ethoxybenzaldehyde

4-[(5-bromo-3-pyridinyl)methoxy]-3-ethoxybenzaldehyde (PubChem CID 115580518) has the molecular formula C15H14BrNO3 and a molecular weight of 336.19 g/mol. Its IUPAC name is 4-[(5-bromo-3-pyridinyl)methoxy]-3-ethoxybenzaldehyde.

Molecular Properties

Compound Name4-[(5-bromo-3-pyridinyl)methoxy]-3-ethoxybenzaldehyde
PubChem CID115580518
Molecular FormulaC15H14BrNO3
Molecular Weight336.19 g/mol
Exact Mass335.02
IUPAC Name4-[(5-bromo-3-pyridinyl)methoxy]-3-ethoxybenzaldehyde
SMILESCCOc1cc(C=O)ccc1OCc1cncc(Br)c1
InChIInChI=1S/C15H14BrNO3/c1-2-19-15-6-11(9-18)3-4-14(15)20-10-12-5-13(16)8-17-7-12/h3-9H,2,10H2,1H3
InChIKeyFTAFWXSXUJFXLF-UHFFFAOYSA-N
XLogP3.63
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.19
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[(3-bromo-5-fluorophenyl)methoxy]-3-ethoxybenzaldehyde
CID 79700724
4-[(5-bromo-3-pyridinyl)methoxy]-3-ethoxybenzonitrile
CID 115580571
3-ethoxy-4-[(4-iodophenyl)methoxy]benzaldehyde
CID 43826418
4-[(2-ethoxy-4-formylphenoxy)methyl]benzoate
CID 4745695
3-ethoxy-4-[(2-methyl-1,3-thiazol-5-yl)methoxy]benzaldehyde
CID 55134135
3-ethoxy-4-[(3-fluoro-4-methoxyphenyl)methoxy]benzaldehyde
CID 78767323
3-bromo-5-[(2-methoxyphenoxy)methyl]pyridine
CID 115580496
2-[(5-bromo-3-pyridinyl)methoxy]-4-propoxybenzaldehyde
CID 115580502
3-[(2-ethoxy-4-formylphenoxy)methyl]benzoic acid
CID 46785879
3-bromo-5-[(2,4-dimethylphenoxy)methyl]pyridine
CID 115580431
(1S)-1-[2-[(5-bromo-3-pyridinyl)methoxy]-5-methylphenyl]ethanol
CID 104798701
3-ethoxy-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]benzaldehyde
CID 28782509

Frequently Asked Questions

What is the IUPAC name of 4-[(5-bromo-3-pyridinyl)methoxy]-3-ethoxybenzaldehyde?
The IUPAC name of 4-[(5-bromo-3-pyridinyl)methoxy]-3-ethoxybenzaldehyde (CID 115580518) is 4-[(5-bromo-3-pyridinyl)methoxy]-3-ethoxybenzaldehyde.
What is the SMILES notation for 4-[(5-bromo-3-pyridinyl)methoxy]-3-ethoxybenzaldehyde?
The canonical SMILES for 4-[(5-bromo-3-pyridinyl)methoxy]-3-ethoxybenzaldehyde is CCOc1cc(C=O)ccc1OCc1cncc(Br)c1.
What is the InChIKey of 4-[(5-bromo-3-pyridinyl)methoxy]-3-ethoxybenzaldehyde?
The InChIKey is FTAFWXSXUJFXLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrNO3/c1-2-19-15-6-11(9-18)3-4-14(15)20-10-12-5-13(16)8-17-7-12/h3-9H,2,10H2,1H3.
What are the key properties of 4-[(5-bromo-3-pyridinyl)methoxy]-3-ethoxybenzaldehyde?
4-[(5-bromo-3-pyridinyl)methoxy]-3-ethoxybenzaldehyde has a molecular weight of 336.19 g/mol, XLogP of 3.63, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-bromo-3-pyridinyl)methoxy]-3-ethoxybenzaldehyde is sourced from PubChem (CID 115580518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).