6-(2-bromo-4-methylphenoxy)-5-methylpyridine-3-carbaldehyde

C14H12BrNO2 — CID 80631978

IUPAC6-(2-bromo-4-methylphenoxy)-5-methylpyridine-3-carbaldehyde
SMILESCc1ccc(Oc2ncc(C=O)cc2C)c(Br)c1
InChIInChI=1S/C14H12BrNO2/c1-9-3-4-13(12(15)5-9)18-14-10(2)6-11(8-17)7-16-14/h3-8H,1-2H3
InChIKeyNSOLFOMEQOKMBG-UHFFFAOYSA-N
MW306.16 g/mol
LogP4.07
Rot. Bonds3

About 6-(2-bromo-4-methylphenoxy)-5-methylpyridine-3-carbaldehyde

6-(2-bromo-4-methylphenoxy)-5-methylpyridine-3-carbaldehyde (PubChem CID 80631978) has the molecular formula C14H12BrNO2 and a molecular weight of 306.16 g/mol. Its IUPAC name is 6-(2-bromo-4-methylphenoxy)-5-methylpyridine-3-carbaldehyde.

Molecular Properties

Compound Name6-(2-bromo-4-methylphenoxy)-5-methylpyridine-3-carbaldehyde
PubChem CID80631978
Molecular FormulaC14H12BrNO2
Molecular Weight306.16 g/mol
Exact Mass305.01
IUPAC Name6-(2-bromo-4-methylphenoxy)-5-methylpyridine-3-carbaldehyde
SMILESCc1ccc(Oc2ncc(C=O)cc2C)c(Br)c1
InChIInChI=1S/C14H12BrNO2/c1-9-3-4-13(12(15)5-9)18-14-10(2)6-11(8-17)7-16-14/h3-8H,1-2H3
InChIKeyNSOLFOMEQOKMBG-UHFFFAOYSA-N
XLogP4.07
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.16
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6-(2-bromo-4-methylphenoxy)-5-methylpyridine-3-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-[3-(hydroxymethyl)phenoxy]-5-methylpyridine-3-carbaldehyde
CID 80631507
6-(3,5-difluorophenoxy)-5-methylpyridine-3-carbaldehyde
CID 80631634
6-(4-fluoro-2-nitrophenoxy)-5-methylpyridine-3-carbaldehyde
CID 80631158
6-[4-(2-hydroxyethyl)phenoxy]-5-methylpyridine-3-carbaldehyde
CID 107709147
5-methyl-6-prop-2-enoxypyridine-3-carbaldehyde
CID 80631853
5-methyl-6-propan-2-yloxypyridine-3-carbaldehyde
CID 55297707
6-bromo-5-methylpyridine-3-carbaldehyde
CID 44754884
2-(2-bromo-4-methylphenoxy)pyrazine
CID 28602476
(E)-3-[6-(2-bromophenoxy)-5-methyl-3-pyridinyl]prop-2-enoic acid
CID 80633413
3-[(2-bromo-4-methylphenoxy)methyl]-4-methoxybenzaldehyde
CID 60778594
5-bromo-2-(2-bromo-4-methylphenoxy)-3-nitropyridine
CID 61229991
5-methyl-6-(4-nitrophenoxy)pyridine-3-carbaldehyde
CID 80631386

Frequently Asked Questions

What is the IUPAC name of 6-(2-bromo-4-methylphenoxy)-5-methylpyridine-3-carbaldehyde?
The IUPAC name of 6-(2-bromo-4-methylphenoxy)-5-methylpyridine-3-carbaldehyde (CID 80631978) is 6-(2-bromo-4-methylphenoxy)-5-methylpyridine-3-carbaldehyde.
What is the SMILES notation for 6-(2-bromo-4-methylphenoxy)-5-methylpyridine-3-carbaldehyde?
The canonical SMILES for 6-(2-bromo-4-methylphenoxy)-5-methylpyridine-3-carbaldehyde is Cc1ccc(Oc2ncc(C=O)cc2C)c(Br)c1.
What is the InChIKey of 6-(2-bromo-4-methylphenoxy)-5-methylpyridine-3-carbaldehyde?
The InChIKey is NSOLFOMEQOKMBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrNO2/c1-9-3-4-13(12(15)5-9)18-14-10(2)6-11(8-17)7-16-14/h3-8H,1-2H3.
What are the key properties of 6-(2-bromo-4-methylphenoxy)-5-methylpyridine-3-carbaldehyde?
6-(2-bromo-4-methylphenoxy)-5-methylpyridine-3-carbaldehyde has a molecular weight of 306.16 g/mol, XLogP of 4.07, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-bromo-4-methylphenoxy)-5-methylpyridine-3-carbaldehyde is sourced from PubChem (CID 80631978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).