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

C30H28Cl2N2O5 — CID 142459722

IUPAC5-chloro-6-[[3-[3-[(3-chloro-6-methoxy-5-methyl-2-pyridinyl)oxymethyl]-2-methylphenyl]-2-methylphenyl]methoxy]-2-methoxypyridine-3-carbaldehyde
SMILESCOc1nc(OCc2cccc(-c3cccc(COc4nc(OC)c(C=O)cc4Cl)c3C)c2C)c(Cl)cc1C
InChIInChI=1S/C30H28Cl2N2O5/c1-17-12-25(31)29(33-27(17)36-4)38-15-20-8-6-10-23(18(20)2)24-11-7-9-21(19(24)3)16-39-30-26(32)13-22(14-35)28(34-30)37-5/h6-14H,15-16H2,1-5H3
InChIKeyZPNAZFMWPYOBBS-UHFFFAOYSA-N
MW567.47 g/mol
LogP7.36
Rot. Bonds10

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

5-chloro-6-[[3-[3-[(3-chloro-6-methoxy-5-methyl-2-pyridinyl)oxymethyl]-2-methylphenyl]-2-methylphenyl]methoxy]-2-methoxypyridine-3-carbaldehyde (PubChem CID 142459722) has the molecular formula C30H28Cl2N2O5 and a molecular weight of 567.47 g/mol. Its IUPAC name is 5-chloro-6-[[3-[3-[(3-chloro-6-methoxy-5-methyl-2-pyridinyl)oxymethyl]-2-methylphenyl]-2-methylphenyl]methoxy]-2-methoxypyridine-3-carbaldehyde.

Molecular Properties

Compound Name5-chloro-6-[[3-[3-[(3-chloro-6-methoxy-5-methyl-2-pyridinyl)oxymethyl]-2-methylphenyl]-2-methylphenyl]methoxy]-2-methoxypyridine-3-carbaldehyde
PubChem CID142459722
Molecular FormulaC30H28Cl2N2O5
Molecular Weight567.47 g/mol
Exact Mass566.14
IUPAC Name5-chloro-6-[[3-[3-[(3-chloro-6-methoxy-5-methyl-2-pyridinyl)oxymethyl]-2-methylphenyl]-2-methylphenyl]methoxy]-2-methoxypyridine-3-carbaldehyde
SMILESCOc1nc(OCc2cccc(-c3cccc(COc4nc(OC)c(C=O)cc4Cl)c3C)c2C)c(Cl)cc1C
InChIInChI=1S/C30H28Cl2N2O5/c1-17-12-25(31)29(33-27(17)36-4)38-15-20-8-6-10-23(18(20)2)24-11-7-9-21(19(24)3)16-39-30-26(32)13-22(14-35)28(34-30)37-5/h6-14H,15-16H2,1-5H3
InChIKeyZPNAZFMWPYOBBS-UHFFFAOYSA-N
XLogP7.36
TPSA79.77 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500567.47
LogP ≤ 57.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-[[3-[3-[(3-chloro-6-methoxy-5-methyl-2-pyridinyl)oxymethyl]-2-methylphenyl]-2-methylphenyl]methoxy]-2-methoxypyridine-3-carbaldehyde?
The IUPAC name of 5-chloro-6-[[3-[3-[(3-chloro-6-methoxy-5-methyl-2-pyridinyl)oxymethyl]-2-methylphenyl]-2-methylphenyl]methoxy]-2-methoxypyridine-3-carbaldehyde (CID 142459722) is 5-chloro-6-[[3-[3-[(3-chloro-6-methoxy-5-methyl-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-6-methoxy-5-methyl-2-pyridinyl)oxymethyl]-2-methylphenyl]-2-methylphenyl]methoxy]-2-methoxypyridine-3-carbaldehyde?
The canonical SMILES for 5-chloro-6-[[3-[3-[(3-chloro-6-methoxy-5-methyl-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.
What is the InChIKey of 5-chloro-6-[[3-[3-[(3-chloro-6-methoxy-5-methyl-2-pyridinyl)oxymethyl]-2-methylphenyl]-2-methylphenyl]methoxy]-2-methoxypyridine-3-carbaldehyde?
The InChIKey is ZPNAZFMWPYOBBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28Cl2N2O5/c1-17-12-25(31)29(33-27(17)36-4)38-15-20-8-6-10-23(18(20)2)24-11-7-9-21(19(24)3)16-39-30-26(32)13-22(14-35)28(34-30)37-5/h6-14H,15-16H2,1-5H3.
What are the key properties of 5-chloro-6-[[3-[3-[(3-chloro-6-methoxy-5-methyl-2-pyridinyl)oxymethyl]-2-methylphenyl]-2-methylphenyl]methoxy]-2-methoxypyridine-3-carbaldehyde?
5-chloro-6-[[3-[3-[(3-chloro-6-methoxy-5-methyl-2-pyridinyl)oxymethyl]-2-methylphenyl]-2-methylphenyl]methoxy]-2-methoxypyridine-3-carbaldehyde has a molecular weight of 567.47 g/mol, XLogP of 7.36, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-[[3-[3-[(3-chloro-6-methoxy-5-methyl-2-pyridinyl)oxymethyl]-2-methylphenyl]-2-methylphenyl]methoxy]-2-methoxypyridine-3-carbaldehyde is sourced from PubChem (CID 142459722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).