3-bromo-5-methoxy-4-[(5-methyl-3-pyridinyl)methoxy]benzaldehyde

C15H14BrNO3 — CID 102881304

IUPAC3-bromo-5-methoxy-4-[(5-methyl-3-pyridinyl)methoxy]benzaldehyde
SMILESCOc1cc(C=O)cc(Br)c1OCc1cncc(C)c1
InChIInChI=1S/C15H14BrNO3/c1-10-3-12(7-17-6-10)9-20-15-13(16)4-11(8-18)5-14(15)19-2/h3-8H,9H2,1-2H3
InChIKeyVFYLNZIMKYWBSW-UHFFFAOYSA-N
MW336.19 g/mol
LogP3.55
Rot. Bonds5

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

3-bromo-5-methoxy-4-[(5-methyl-3-pyridinyl)methoxy]benzaldehyde (PubChem CID 102881304) has the molecular formula C15H14BrNO3 and a molecular weight of 336.19 g/mol. Its IUPAC name is 3-bromo-5-methoxy-4-[(5-methyl-3-pyridinyl)methoxy]benzaldehyde.

Molecular Properties

Compound Name3-bromo-5-methoxy-4-[(5-methyl-3-pyridinyl)methoxy]benzaldehyde
PubChem CID102881304
Molecular FormulaC15H14BrNO3
Molecular Weight336.19 g/mol
Exact Mass335.02
IUPAC Name3-bromo-5-methoxy-4-[(5-methyl-3-pyridinyl)methoxy]benzaldehyde
SMILESCOc1cc(C=O)cc(Br)c1OCc1cncc(C)c1
InChIInChI=1S/C15H14BrNO3/c1-10-3-12(7-17-6-10)9-20-15-13(16)4-11(8-18)5-14(15)19-2/h3-8H,9H2,1-2H3
InChIKeyVFYLNZIMKYWBSW-UHFFFAOYSA-N
XLogP3.55
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.19
LogP ≤ 53.55
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

1-[3-bromo-5-methoxy-4-[(5-methyl-3-pyridinyl)methoxy]phenyl]-N-methylmethanamine
CID 102880382
3-bromo-5-methoxy-4-(pyrimidin-2-ylmethoxy)benzaldehyde
CID 62700117
3-[[2-bromo-4-(bromomethyl)-6-ethoxyphenoxy]methyl]-5-methylpyridine
CID 102881723
[3,5-dimethoxy-4-[(5-methyl-3-pyridinyl)methoxy]phenyl]methanol
CID 102881591
3-bromo-4-(2-bromoethoxy)-5-methoxybenzaldehyde
CID 22999184
3-bromo-5-ethoxy-4-[(4-methylphenyl)methoxy]benzaldehyde
CID 882013
3-[(2-bromo-4-formyl-6-methoxyphenoxy)methyl]benzonitrile
CID 28690182
3-bromo-4-[(2-chlorophenyl)methoxy]-5-methoxybenzaldehyde
CID 1276566
3-bromo-4-[(4-bromo-2-fluorophenyl)methoxy]-5-methoxybenzaldehyde
CID 43622448
3-bromo-4-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-5-methoxybenzaldehyde
CID 61484196
3-(5-formyl-3-methoxy-2-phenylmethoxyphenoxy)-5-methoxy-4-phenylmethoxybenzaldehyde
CID 102236097
4-[[4-[(4-formyl-2,6-dimethoxyphenoxy)methyl]-2,5-dimethoxyphenyl]methoxy]-3,5-dimethoxybenzaldehyde
CID 21037530

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-methoxy-4-[(5-methyl-3-pyridinyl)methoxy]benzaldehyde?
The IUPAC name of 3-bromo-5-methoxy-4-[(5-methyl-3-pyridinyl)methoxy]benzaldehyde (CID 102881304) is 3-bromo-5-methoxy-4-[(5-methyl-3-pyridinyl)methoxy]benzaldehyde.
What is the SMILES notation for 3-bromo-5-methoxy-4-[(5-methyl-3-pyridinyl)methoxy]benzaldehyde?
The canonical SMILES for 3-bromo-5-methoxy-4-[(5-methyl-3-pyridinyl)methoxy]benzaldehyde is COc1cc(C=O)cc(Br)c1OCc1cncc(C)c1.
What is the InChIKey of 3-bromo-5-methoxy-4-[(5-methyl-3-pyridinyl)methoxy]benzaldehyde?
The InChIKey is VFYLNZIMKYWBSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrNO3/c1-10-3-12(7-17-6-10)9-20-15-13(16)4-11(8-18)5-14(15)19-2/h3-8H,9H2,1-2H3.
What are the key properties of 3-bromo-5-methoxy-4-[(5-methyl-3-pyridinyl)methoxy]benzaldehyde?
3-bromo-5-methoxy-4-[(5-methyl-3-pyridinyl)methoxy]benzaldehyde has a molecular weight of 336.19 g/mol, XLogP of 3.55, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-methoxy-4-[(5-methyl-3-pyridinyl)methoxy]benzaldehyde is sourced from PubChem (CID 102881304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).