5-bromo-3-methyl-2-(pyridin-4-ylmethoxy)benzaldehyde

C14H12BrNO2 — CID 112620547

IUPAC5-bromo-3-methyl-2-(pyridin-4-ylmethoxy)benzaldehyde
SMILESCc1cc(Br)cc(C=O)c1OCc1ccncc1
InChIInChI=1S/C14H12BrNO2/c1-10-6-13(15)7-12(8-17)14(10)18-9-11-2-4-16-5-3-11/h2-8H,9H2,1H3
InChIKeyFXHQPQNQTHDKEJ-UHFFFAOYSA-N
MW306.16 g/mol
LogP3.54
Rot. Bonds4

About 5-bromo-3-methyl-2-(pyridin-4-ylmethoxy)benzaldehyde

5-bromo-3-methyl-2-(pyridin-4-ylmethoxy)benzaldehyde (PubChem CID 112620547) has the molecular formula C14H12BrNO2 and a molecular weight of 306.16 g/mol. Its IUPAC name is 5-bromo-3-methyl-2-(pyridin-4-ylmethoxy)benzaldehyde.

Molecular Properties

Compound Name5-bromo-3-methyl-2-(pyridin-4-ylmethoxy)benzaldehyde
PubChem CID112620547
Molecular FormulaC14H12BrNO2
Molecular Weight306.16 g/mol
Exact Mass305.01
IUPAC Name5-bromo-3-methyl-2-(pyridin-4-ylmethoxy)benzaldehyde
SMILESCc1cc(Br)cc(C=O)c1OCc1ccncc1
InChIInChI=1S/C14H12BrNO2/c1-10-6-13(15)7-12(8-17)14(10)18-9-11-2-4-16-5-3-11/h2-8H,9H2,1H3
InChIKeyFXHQPQNQTHDKEJ-UHFFFAOYSA-N
XLogP3.54
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.16
LogP ≤ 53.54
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-bromo-3-methyl-2-[(4-propan-2-ylphenyl)methoxy]benzaldehyde
CID 115961814
5-bromo-2-[(3-bromophenyl)methoxy]-3-methylbenzaldehyde
CID 112620538
5-bromo-3-methyl-2-(pyrimidin-2-ylmethoxy)benzaldehyde
CID 112620733
5-bromo-2-[(3-bromo-5-fluorophenyl)methoxy]-3-methylbenzaldehyde
CID 115961884
5-bromo-2-[(3-chlorophenyl)methoxy]-3-methylbenzaldehyde
CID 112620679
5-bromo-2-[(3-bromo-4-methoxyphenyl)methoxy]-3-methylbenzaldehyde
CID 115961843
5-bromo-2-[(2-chlorophenyl)methoxy]-3-methylbenzaldehyde
CID 112620643
4-[[4-(bromomethyl)-2,6-dimethylphenoxy]methyl]pyridine
CID 43324541
5-bromo-3-methyl-2-[(5-methyl-1,2-oxazol-3-yl)methoxy]benzaldehyde
CID 112620556
N-[[5-bromo-3-methyl-2-(pyridin-4-ylmethoxy)phenyl]methyl]propan-2-amine
CID 115961429
5-bromo-3-methyl-2-(2-phenylethoxy)benzaldehyde
CID 112620614
5-bromo-2-[(E)-but-2-enoxy]-3-methylbenzaldehyde
CID 112620685

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-methyl-2-(pyridin-4-ylmethoxy)benzaldehyde?
The IUPAC name of 5-bromo-3-methyl-2-(pyridin-4-ylmethoxy)benzaldehyde (CID 112620547) is 5-bromo-3-methyl-2-(pyridin-4-ylmethoxy)benzaldehyde.
What is the SMILES notation for 5-bromo-3-methyl-2-(pyridin-4-ylmethoxy)benzaldehyde?
The canonical SMILES for 5-bromo-3-methyl-2-(pyridin-4-ylmethoxy)benzaldehyde is Cc1cc(Br)cc(C=O)c1OCc1ccncc1.
What is the InChIKey of 5-bromo-3-methyl-2-(pyridin-4-ylmethoxy)benzaldehyde?
The InChIKey is FXHQPQNQTHDKEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrNO2/c1-10-6-13(15)7-12(8-17)14(10)18-9-11-2-4-16-5-3-11/h2-8H,9H2,1H3.
What are the key properties of 5-bromo-3-methyl-2-(pyridin-4-ylmethoxy)benzaldehyde?
5-bromo-3-methyl-2-(pyridin-4-ylmethoxy)benzaldehyde has a molecular weight of 306.16 g/mol, XLogP of 3.54, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-methyl-2-(pyridin-4-ylmethoxy)benzaldehyde is sourced from PubChem (CID 112620547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).