4-(4-methoxyphenyl)pyridine-3-carbaldehyde

C13H11NO2 — CID 11031182

IUPAC4-(4-methoxyphenyl)pyridine-3-carbaldehyde
SMILESCOc1ccc(-c2ccncc2C=O)cc1
InChIInChI=1S/C13H11NO2/c1-16-12-4-2-10(3-5-12)13-6-7-14-8-11(13)9-15/h2-9H,1H3
InChIKeyGKHCTJINMOUECD-UHFFFAOYSA-N
MW213.24 g/mol
LogP2.57
Rot. Bonds3

About 4-(4-methoxyphenyl)pyridine-3-carbaldehyde

4-(4-methoxyphenyl)pyridine-3-carbaldehyde (PubChem CID 11031182) has the molecular formula C13H11NO2 and a molecular weight of 213.24 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)pyridine-3-carbaldehyde.

Molecular Properties

Compound Name4-(4-methoxyphenyl)pyridine-3-carbaldehyde
PubChem CID11031182
Molecular FormulaC13H11NO2
Molecular Weight213.24 g/mol
Exact Mass213.08
IUPAC Name4-(4-methoxyphenyl)pyridine-3-carbaldehyde
SMILESCOc1ccc(-c2ccncc2C=O)cc1
InChIInChI=1S/C13H11NO2/c1-16-12-4-2-10(3-5-12)13-6-7-14-8-11(13)9-15/h2-9H,1H3
InChIKeyGKHCTJINMOUECD-UHFFFAOYSA-N
XLogP2.57
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)pyridine-3-carbaldehyde?
The IUPAC name of 4-(4-methoxyphenyl)pyridine-3-carbaldehyde (CID 11031182) is 4-(4-methoxyphenyl)pyridine-3-carbaldehyde.
What is the SMILES notation for 4-(4-methoxyphenyl)pyridine-3-carbaldehyde?
The canonical SMILES for 4-(4-methoxyphenyl)pyridine-3-carbaldehyde is COc1ccc(-c2ccncc2C=O)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)pyridine-3-carbaldehyde?
The InChIKey is GKHCTJINMOUECD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO2/c1-16-12-4-2-10(3-5-12)13-6-7-14-8-11(13)9-15/h2-9H,1H3.
What are the key properties of 4-(4-methoxyphenyl)pyridine-3-carbaldehyde?
4-(4-methoxyphenyl)pyridine-3-carbaldehyde has a molecular weight of 213.24 g/mol, XLogP of 2.57, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)pyridine-3-carbaldehyde is sourced from PubChem (CID 11031182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).