5-chloro-6-[[3-[3-[(3-chloro-5-formyl-6-methoxy-2-pyridinyl)oxymethyl]-2-methylphenyl]-2-methylphenyl]methoxy]-2-methoxypyridine-3-carbaldehyde

C30H26Cl2N2O6 — CID 135360706

About 5-chloro-6-[[3-[3-[(3-chloro-5-formyl-6-methoxy-2-pyridinyl)oxymethyl]-2-methylphenyl]-2-methylphenyl]methoxy]-2-methoxypyridine-3-carbaldehyde

5-chloro-6-[[3-[3-[(3-chloro-5-formyl-6-methoxy-2-pyridinyl)oxymethyl]-2-methylphenyl]-2-methylphenyl]methoxy]-2-methoxypyridine-3-carbaldehyde (PubChem CID 135360706) has the molecular formula C30H26Cl2N2O6 and a molecular weight of 581.45 g/mol. Its IUPAC name is 5-chloro-6-[[3-[3-[(3-chloro-5-formyl-6-methoxy-2-pyridinyl)oxymethyl]-2-methylphenyl]-2-methylphenyl]methoxy]-2-methoxypyridine-3-carbaldehyde.

Molecular Properties

• Compound Name: 5-chloro-6-[[3-[3-[(3-chloro-5-formyl-6-methoxy-2-pyridinyl)oxymethyl]-2-methylphenyl]-2-methylphenyl]methoxy]-2-methoxypyridine-3-carbaldehyde
• PubChem CID: 135360706
• Molecular Formula: C30H26Cl2N2O6
• Molecular Weight: 581.45 g/mol
• Exact Mass: 580.12
• IUPAC Name: 5-chloro-6-[[3-[3-[(3-chloro-5-formyl-6-methoxy-2-pyridinyl)oxymethyl]-2-methylphenyl]-2-methylphenyl]methoxy]-2-methoxypyridine-3-carbaldehyde
• SMILES: COc1nc(OCc2cccc(-c3cccc(COc4nc(OC)c(C=O)cc4Cl)c3C)c2C)c(Cl)cc1C=O
• InChI: InChI=1S/C30H26Cl2N2O6/c1-17-19(15-39-29-25(31)11-21(13-35)27(33-29)37-3)7-5-9-23(17)24-10-6-8-20(18(24)2)16-40-30-26(32)12-22(14-36)28(34-30)38-4/h5-14H,15-16H2,1-4H3
• InChIKey: PWEVOXJTVCSVRF-UHFFFAOYSA-N
• XLogP: 6.87
• TPSA: 96.84 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 11
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	581.45
LogP ≤ 5	6.87
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-[[3-[3-[(3-chloro-5-formyl-6-methoxy-2-pyridinyl)oxymethyl]-2-methylphenyl]-2-methylphenyl]methoxy]-2-methoxypyridine-3-carbaldehyde?

The IUPAC name of 5-chloro-6-[[3-[3-[(3-chloro-5-formyl-6-methoxy-2-pyridinyl)oxymethyl]-2-methylphenyl]-2-methylphenyl]methoxy]-2-methoxypyridine-3-carbaldehyde (CID 135360706) is 5-chloro-6-[[3-[3-[(3-chloro-5-formyl-6-methoxy-2-pyridinyl)oxymethyl]-2-methylphenyl]-2-methylphenyl]methoxy]-2-methoxypyridine-3-carbaldehyde.

What is the SMILES notation for 5-chloro-6-[[3-[3-[(3-chloro-5-formyl-6-methoxy-2-pyridinyl)oxymethyl]-2-methylphenyl]-2-methylphenyl]methoxy]-2-methoxypyridine-3-carbaldehyde?

The canonical SMILES for 5-chloro-6-[[3-[3-[(3-chloro-5-formyl-6-methoxy-2-pyridinyl)oxymethyl]-2-methylphenyl]-2-methylphenyl]methoxy]-2-methoxypyridine-3-carbaldehyde is COc1nc(OCc2cccc(-c3cccc(COc4nc(OC)c(C=O)cc4Cl)c3C)c2C)c(Cl)cc1C=O.

What is the InChIKey of 5-chloro-6-[[3-[3-[(3-chloro-5-formyl-6-methoxy-2-pyridinyl)oxymethyl]-2-methylphenyl]-2-methylphenyl]methoxy]-2-methoxypyridine-3-carbaldehyde?

The InChIKey is PWEVOXJTVCSVRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26Cl2N2O6/c1-17-19(15-39-29-25(31)11-21(13-35)27(33-29)37-3)7-5-9-23(17)24-10-6-8-20(18(24)2)16-40-30-26(32)12-22(14-36)28(34-30)38-4/h5-14H,15-16H2,1-4H3.

What are the key properties of 5-chloro-6-[[3-[3-[(3-chloro-5-formyl-6-methoxy-2-pyridinyl)oxymethyl]-2-methylphenyl]-2-methylphenyl]methoxy]-2-methoxypyridine-3-carbaldehyde?

5-chloro-6-[[3-[3-[(3-chloro-5-formyl-6-methoxy-2-pyridinyl)oxymethyl]-2-methylphenyl]-2-methylphenyl]methoxy]-2-methoxypyridine-3-carbaldehyde has a molecular weight of 581.45 g/mol, XLogP of 6.87, 11 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-6-[[3-[3-[(3-chloro-5-formyl-6-methoxy-2-pyridinyl)oxymethyl]-2-methylphenyl]-2-methylphenyl]methoxy]-2-methoxypyridine-3-carbaldehyde is sourced from PubChem (CID 135360706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).