2-(2-methoxyphenyl)-3-methylpyridine-4-carbaldehyde

C14H13NO2 — CID 83918138

IUPAC2-(2-methoxyphenyl)-3-methylpyridine-4-carbaldehyde
SMILESCOc1ccccc1-c1nccc(C=O)c1C
InChIInChI=1S/C14H13NO2/c1-10-11(9-16)7-8-15-14(10)12-5-3-4-6-13(12)17-2/h3-9H,1-2H3
InChIKeyXENGSJRMJUPEAG-UHFFFAOYSA-N
MW227.26 g/mol
LogP2.88
Rot. Bonds3

About 2-(2-methoxyphenyl)-3-methylpyridine-4-carbaldehyde

2-(2-methoxyphenyl)-3-methylpyridine-4-carbaldehyde (PubChem CID 83918138) has the molecular formula C14H13NO2 and a molecular weight of 227.26 g/mol. Its IUPAC name is 2-(2-methoxyphenyl)-3-methylpyridine-4-carbaldehyde.

Molecular Properties

Compound Name2-(2-methoxyphenyl)-3-methylpyridine-4-carbaldehyde
PubChem CID83918138
Molecular FormulaC14H13NO2
Molecular Weight227.26 g/mol
Exact Mass227.09
IUPAC Name2-(2-methoxyphenyl)-3-methylpyridine-4-carbaldehyde
SMILESCOc1ccccc1-c1nccc(C=O)c1C
InChIInChI=1S/C14H13NO2/c1-10-11(9-16)7-8-15-14(10)12-5-3-4-6-13(12)17-2/h3-9H,1-2H3
InChIKeyXENGSJRMJUPEAG-UHFFFAOYSA-N
XLogP2.88
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 52.88
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

2-(3-methoxypyrazin-2-yl)benzaldehyde
CID 104516168
3-(2-methoxyphenyl)pyridine-2-carbaldehyde
CID 86594750
4-(2-methoxyphenyl)-5-methyl-1H-pyrimidin-6-one
CID 136691870
4-(3-methoxy-2-pyridinyl)-6-methylpyridine-3-carbaldehyde
CID 167102927
5-(2-methoxyphenyl)-1,2-thiazole-4-carbaldehyde
CID 83822098
5-(2-methoxyphenyl)-1H-pyrazole-4-carbaldehyde
CID 4067971
carbanide;ethane;2-methoxybenzaldehyde;yttrium
CID 160914428
2-chloro-3-(2-methoxyphenyl)benzaldehyde
CID 175756808
2-amino-5-(2-methoxyphenyl)pyridine-3-carbaldehyde
CID 115036600
2-methoxy-3-[2-(trifluoromethoxy)phenyl]pyridine-4-carbaldehyde
CID 134620613
3-hydroxy-4-(2-methoxyphenyl)-3H-furo[3,4-c]pyridin-1-one
CID 155595313
2-(4-methoxy-3-methylphenyl)benzaldehyde
CID 54910312

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenyl)-3-methylpyridine-4-carbaldehyde?
The IUPAC name of 2-(2-methoxyphenyl)-3-methylpyridine-4-carbaldehyde (CID 83918138) is 2-(2-methoxyphenyl)-3-methylpyridine-4-carbaldehyde.
What is the SMILES notation for 2-(2-methoxyphenyl)-3-methylpyridine-4-carbaldehyde?
The canonical SMILES for 2-(2-methoxyphenyl)-3-methylpyridine-4-carbaldehyde is COc1ccccc1-c1nccc(C=O)c1C.
What is the InChIKey of 2-(2-methoxyphenyl)-3-methylpyridine-4-carbaldehyde?
The InChIKey is XENGSJRMJUPEAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO2/c1-10-11(9-16)7-8-15-14(10)12-5-3-4-6-13(12)17-2/h3-9H,1-2H3.
What are the key properties of 2-(2-methoxyphenyl)-3-methylpyridine-4-carbaldehyde?
2-(2-methoxyphenyl)-3-methylpyridine-4-carbaldehyde has a molecular weight of 227.26 g/mol, XLogP of 2.88, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenyl)-3-methylpyridine-4-carbaldehyde is sourced from PubChem (CID 83918138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).