5-chloro-2-methoxy-6-[[2-methyl-3-[2-methyl-3-[4-(2-oxoethoxy)phenyl]phenyl]phenyl]methoxy]pyridine-3-carbaldehyde

C30H26ClNO5 — CID 135361841

IUPAC5-chloro-2-methoxy-6-[[2-methyl-3-[2-methyl-3-[4-(2-oxoethoxy)phenyl]phenyl]phenyl]methoxy]pyridine-3-carbaldehyde
SMILESCOc1nc(OCc2cccc(-c3cccc(-c4ccc(OCC=O)cc4)c3C)c2C)c(Cl)cc1C=O
InChIInChI=1S/C30H26ClNO5/c1-19-22(18-37-30-28(31)16-23(17-34)29(32-30)35-3)6-4-8-26(19)27-9-5-7-25(20(27)2)21-10-12-24(13-11-21)36-15-14-33/h4-14,16-17H,15,18H2,1-3H3
InChIKeyMAHILJMYVYFYFT-UHFFFAOYSA-N
MW515.99 g/mol
LogP6.66
Rot. Bonds10

About 5-chloro-2-methoxy-6-[[2-methyl-3-[2-methyl-3-[4-(2-oxoethoxy)phenyl]phenyl]phenyl]methoxy]pyridine-3-carbaldehyde

5-chloro-2-methoxy-6-[[2-methyl-3-[2-methyl-3-[4-(2-oxoethoxy)phenyl]phenyl]phenyl]methoxy]pyridine-3-carbaldehyde (PubChem CID 135361841) has the molecular formula C30H26ClNO5 and a molecular weight of 515.99 g/mol. Its IUPAC name is 5-chloro-2-methoxy-6-[[2-methyl-3-[2-methyl-3-[4-(2-oxoethoxy)phenyl]phenyl]phenyl]methoxy]pyridine-3-carbaldehyde.

Molecular Properties

Compound Name5-chloro-2-methoxy-6-[[2-methyl-3-[2-methyl-3-[4-(2-oxoethoxy)phenyl]phenyl]phenyl]methoxy]pyridine-3-carbaldehyde
PubChem CID135361841
Molecular FormulaC30H26ClNO5
Molecular Weight515.99 g/mol
Exact Mass515.15
IUPAC Name5-chloro-2-methoxy-6-[[2-methyl-3-[2-methyl-3-[4-(2-oxoethoxy)phenyl]phenyl]phenyl]methoxy]pyridine-3-carbaldehyde
SMILESCOc1nc(OCc2cccc(-c3cccc(-c4ccc(OCC=O)cc4)c3C)c2C)c(Cl)cc1C=O
InChIInChI=1S/C30H26ClNO5/c1-19-22(18-37-30-28(31)16-23(17-34)29(32-30)35-3)6-4-8-26(19)27-9-5-7-25(20(27)2)21-10-12-24(13-11-21)36-15-14-33/h4-14,16-17H,15,18H2,1-3H3
InChIKeyMAHILJMYVYFYFT-UHFFFAOYSA-N
XLogP6.66
TPSA74.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.99
LogP ≤ 56.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 5-chloro-2-methoxy-6-[[2-methyl-3-[2-methyl-3-[4-(2-oxoethoxy)phenyl]phenyl]phenyl]methoxy]pyridine-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

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methoxy-6-[[2-methyl-3-[2-methyl-3-[4-(2-oxoethoxy)phenyl]phenyl]phenyl]methoxy]pyridine-3-carbaldehyde?
The IUPAC name of 5-chloro-2-methoxy-6-[[2-methyl-3-[2-methyl-3-[4-(2-oxoethoxy)phenyl]phenyl]phenyl]methoxy]pyridine-3-carbaldehyde (CID 135361841) is 5-chloro-2-methoxy-6-[[2-methyl-3-[2-methyl-3-[4-(2-oxoethoxy)phenyl]phenyl]phenyl]methoxy]pyridine-3-carbaldehyde.
What is the SMILES notation for 5-chloro-2-methoxy-6-[[2-methyl-3-[2-methyl-3-[4-(2-oxoethoxy)phenyl]phenyl]phenyl]methoxy]pyridine-3-carbaldehyde?
The canonical SMILES for 5-chloro-2-methoxy-6-[[2-methyl-3-[2-methyl-3-[4-(2-oxoethoxy)phenyl]phenyl]phenyl]methoxy]pyridine-3-carbaldehyde is COc1nc(OCc2cccc(-c3cccc(-c4ccc(OCC=O)cc4)c3C)c2C)c(Cl)cc1C=O.
What is the InChIKey of 5-chloro-2-methoxy-6-[[2-methyl-3-[2-methyl-3-[4-(2-oxoethoxy)phenyl]phenyl]phenyl]methoxy]pyridine-3-carbaldehyde?
The InChIKey is MAHILJMYVYFYFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26ClNO5/c1-19-22(18-37-30-28(31)16-23(17-34)29(32-30)35-3)6-4-8-26(19)27-9-5-7-25(20(27)2)21-10-12-24(13-11-21)36-15-14-33/h4-14,16-17H,15,18H2,1-3H3.
What are the key properties of 5-chloro-2-methoxy-6-[[2-methyl-3-[2-methyl-3-[4-(2-oxoethoxy)phenyl]phenyl]phenyl]methoxy]pyridine-3-carbaldehyde?
5-chloro-2-methoxy-6-[[2-methyl-3-[2-methyl-3-[4-(2-oxoethoxy)phenyl]phenyl]phenyl]methoxy]pyridine-3-carbaldehyde has a molecular weight of 515.99 g/mol, XLogP of 6.66, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methoxy-6-[[2-methyl-3-[2-methyl-3-[4-(2-oxoethoxy)phenyl]phenyl]phenyl]methoxy]pyridine-3-carbaldehyde is sourced from PubChem (CID 135361841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).