4-methoxy-2-(2-methoxy-4-pyridinyl)benzaldehyde

C14H13NO3 — CID 172649224

IUPAC4-methoxy-2-(2-methoxy-4-pyridinyl)benzaldehyde
SMILESCOc1ccc(C=O)c(-c2ccnc(OC)c2)c1
InChIInChI=1S/C14H13NO3/c1-17-12-4-3-11(9-16)13(8-12)10-5-6-15-14(7-10)18-2/h3-9H,1-2H3
InChIKeySHBWAWLANSUCJC-UHFFFAOYSA-N
MW243.26 g/mol
LogP2.58
Rot. Bonds4

About 4-methoxy-2-(2-methoxy-4-pyridinyl)benzaldehyde

4-methoxy-2-(2-methoxy-4-pyridinyl)benzaldehyde (PubChem CID 172649224) has the molecular formula C14H13NO3 and a molecular weight of 243.26 g/mol. Its IUPAC name is 4-methoxy-2-(2-methoxy-4-pyridinyl)benzaldehyde.

Molecular Properties

Compound Name4-methoxy-2-(2-methoxy-4-pyridinyl)benzaldehyde
PubChem CID172649224
Molecular FormulaC14H13NO3
Molecular Weight243.26 g/mol
Exact Mass243.09
IUPAC Name4-methoxy-2-(2-methoxy-4-pyridinyl)benzaldehyde
SMILESCOc1ccc(C=O)c(-c2ccnc(OC)c2)c1
InChIInChI=1S/C14H13NO3/c1-17-12-4-3-11(9-16)13(8-12)10-5-6-15-14(7-10)18-2/h3-9H,1-2H3
InChIKeySHBWAWLANSUCJC-UHFFFAOYSA-N
XLogP2.58
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-methoxy-2-(2-methoxy-4-pyridinyl)benzaldehyde?
The IUPAC name of 4-methoxy-2-(2-methoxy-4-pyridinyl)benzaldehyde (CID 172649224) is 4-methoxy-2-(2-methoxy-4-pyridinyl)benzaldehyde.
What is the SMILES notation for 4-methoxy-2-(2-methoxy-4-pyridinyl)benzaldehyde?
The canonical SMILES for 4-methoxy-2-(2-methoxy-4-pyridinyl)benzaldehyde is COc1ccc(C=O)c(-c2ccnc(OC)c2)c1.
What is the InChIKey of 4-methoxy-2-(2-methoxy-4-pyridinyl)benzaldehyde?
The InChIKey is SHBWAWLANSUCJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO3/c1-17-12-4-3-11(9-16)13(8-12)10-5-6-15-14(7-10)18-2/h3-9H,1-2H3.
What are the key properties of 4-methoxy-2-(2-methoxy-4-pyridinyl)benzaldehyde?
4-methoxy-2-(2-methoxy-4-pyridinyl)benzaldehyde has a molecular weight of 243.26 g/mol, XLogP of 2.58, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-(2-methoxy-4-pyridinyl)benzaldehyde is sourced from PubChem (CID 172649224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).