4-(4-methoxyphenyl)-5-methylpyridine-3-carbaldehyde

C14H13NO2 — CID 11770188

IUPAC4-(4-methoxyphenyl)-5-methylpyridine-3-carbaldehyde
SMILESCOc1ccc(-c2c(C)cncc2C=O)cc1
InChIInChI=1S/C14H13NO2/c1-10-7-15-8-12(9-16)14(10)11-3-5-13(17-2)6-4-11/h3-9H,1-2H3
InChIKeyMINBXTGWZZXWAN-UHFFFAOYSA-N
MW227.26 g/mol
LogP2.88
Rot. Bonds3

About 4-(4-methoxyphenyl)-5-methylpyridine-3-carbaldehyde

4-(4-methoxyphenyl)-5-methylpyridine-3-carbaldehyde (PubChem CID 11770188) has the molecular formula C14H13NO2 and a molecular weight of 227.26 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-5-methylpyridine-3-carbaldehyde.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-5-methylpyridine-3-carbaldehyde
PubChem CID11770188
Molecular FormulaC14H13NO2
Molecular Weight227.26 g/mol
Exact Mass227.09
IUPAC Name4-(4-methoxyphenyl)-5-methylpyridine-3-carbaldehyde
SMILESCOc1ccc(-c2c(C)cncc2C=O)cc1
InChIInChI=1S/C14H13NO2/c1-10-7-15-8-12(9-16)14(10)11-3-5-13(17-2)6-4-11/h3-9H,1-2H3
InChIKeyMINBXTGWZZXWAN-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

3-fluoro-2-(4-methoxyphenyl)benzaldehyde
CID 135055449
3-bromo-4-[3-bromo-5-(4-methoxyphenyl)-4-pyridinyl]-5-(4-methoxyphenyl)pyridine
CID 57342779
2-(4-methoxyphenyl)furan-3-carbaldehyde
CID 86258825
2-(4-methoxyphenyl)-3-nitrobenzaldehyde
CID 174417742
3-(4-methoxyphenyl)-4-methylcyclobut-3-ene-1,2-dione
CID 14737857
6-fluoro-4-(4-methoxyphenyl)-3-methylquinoline
CID 122371652
5-methoxy-2-(2-methylpyrimidin-5-yl)benzaldehyde
CID 172651190
3-(4-methoxyphenyl)phthalaldehyde
CID 174870899
2,3-dimethoxy-5-(4-methoxyphenyl)benzaldehyde
CID 82039032
2-(4-methoxyphenyl)-5-(trifluoromethyl)pyridine-3-carbaldehyde
CID 172913849
4-methoxy(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene-1-carbaldehyde
CID 46780459
5-(5-methoxy-3-pyridinyl)-2-methylfuran-3-carbaldehyde
CID 87479880

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-5-methylpyridine-3-carbaldehyde?
The IUPAC name of 4-(4-methoxyphenyl)-5-methylpyridine-3-carbaldehyde (CID 11770188) is 4-(4-methoxyphenyl)-5-methylpyridine-3-carbaldehyde.
What is the SMILES notation for 4-(4-methoxyphenyl)-5-methylpyridine-3-carbaldehyde?
The canonical SMILES for 4-(4-methoxyphenyl)-5-methylpyridine-3-carbaldehyde is COc1ccc(-c2c(C)cncc2C=O)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-5-methylpyridine-3-carbaldehyde?
The InChIKey is MINBXTGWZZXWAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO2/c1-10-7-15-8-12(9-16)14(10)11-3-5-13(17-2)6-4-11/h3-9H,1-2H3.
What are the key properties of 4-(4-methoxyphenyl)-5-methylpyridine-3-carbaldehyde?
4-(4-methoxyphenyl)-5-methylpyridine-3-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 4-(4-methoxyphenyl)-5-methylpyridine-3-carbaldehyde is sourced from PubChem (CID 11770188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).