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

C28H22Cl2N2O4 — CID 135361241

IUPAC2-chloro-6-[[3-[3-[(6-chloro-5-formyl-2-pyridinyl)oxymethyl]-2-methylphenyl]-2-methylphenyl]methoxy]pyridine-3-carbaldehyde
SMILESCc1c(COc2ccc(C=O)c(Cl)n2)cccc1-c1cccc(COc2ccc(C=O)c(Cl)n2)c1C
InChIInChI=1S/C28H22Cl2N2O4/c1-17-21(15-35-25-11-9-19(13-33)27(29)31-25)5-3-7-23(17)24-8-4-6-22(18(24)2)16-36-26-12-10-20(14-34)28(30)32-26/h3-14H,15-16H2,1-2H3
InChIKeyWEOMYUYIYGKDPR-UHFFFAOYSA-N
MW521.40 g/mol
LogP6.85
Rot. Bonds9

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

2-chloro-6-[[3-[3-[(6-chloro-5-formyl-2-pyridinyl)oxymethyl]-2-methylphenyl]-2-methylphenyl]methoxy]pyridine-3-carbaldehyde (PubChem CID 135361241) has the molecular formula C28H22Cl2N2O4 and a molecular weight of 521.40 g/mol. Its IUPAC name is 2-chloro-6-[[3-[3-[(6-chloro-5-formyl-2-pyridinyl)oxymethyl]-2-methylphenyl]-2-methylphenyl]methoxy]pyridine-3-carbaldehyde.

Molecular Properties

Compound Name2-chloro-6-[[3-[3-[(6-chloro-5-formyl-2-pyridinyl)oxymethyl]-2-methylphenyl]-2-methylphenyl]methoxy]pyridine-3-carbaldehyde
PubChem CID135361241
Molecular FormulaC28H22Cl2N2O4
Molecular Weight521.40 g/mol
Exact Mass520.10
IUPAC Name2-chloro-6-[[3-[3-[(6-chloro-5-formyl-2-pyridinyl)oxymethyl]-2-methylphenyl]-2-methylphenyl]methoxy]pyridine-3-carbaldehyde
SMILESCc1c(COc2ccc(C=O)c(Cl)n2)cccc1-c1cccc(COc2ccc(C=O)c(Cl)n2)c1C
InChIInChI=1S/C28H22Cl2N2O4/c1-17-21(15-35-25-11-9-19(13-33)27(29)31-25)5-3-7-23(17)24-8-4-6-22(18(24)2)16-36-26-12-10-20(14-34)28(30)32-26/h3-14H,15-16H2,1-2H3
InChIKeyWEOMYUYIYGKDPR-UHFFFAOYSA-N
XLogP6.85
TPSA78.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500521.40
LogP ≤ 56.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 2-chloro-6-[[3-[3-[(6-chloro-5-formyl-2-pyridinyl)oxymethyl]-2-methylphenyl]-2-methylphenyl]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

Related Compounds

2-Methoxy-6-((2-methyl-[1,1'-biphenyl]-3-YL)methoxy)nicotinaldehyde
CID 117941962
5-Chloro-6-[(2-methyl-3-phenylphenyl)methoxy]pyridine-3-carbaldehyde
CID 172439368
6-[[(1R,2R)-2-fluoro-4-[(1R,2R)-2-fluoro-1-[(5-formyl-6-methoxy-2-pyridinyl)oxy]-2,3-dihydro-1H-inden-4-yl]-2,3-dihydro-1H-inden-1-yl]oxy]-2-methoxypyridine-3-carbaldehyde
CID 135360851
5-chloro-6-[[(1R,2S)-4-[(1R,2S)-1-[(3-chloro-5-formyl-6-methoxy-2-pyridinyl)oxy]-2-fluoro-2,3-dihydro-1H-inden-4-yl]-2-fluoro-2,3-dihydro-1H-inden-1-yl]oxy]-2-methoxypyridine-3-carbaldehyde
CID 135360954
5-chloro-6-[[(1R,2R)-4-[(1R,2R)-1-[(3-chloro-5-formyl-6-methoxy-2-pyridinyl)oxy]-2-fluoro-2,3-dihydro-1H-inden-4-yl]-2-fluoro-2,3-dihydro-1H-inden-1-yl]oxy]-2-methoxypyridine-3-carbaldehyde
CID 135360974
6-[[(1R,2S)-2-fluoro-4-[(1R,2S)-2-fluoro-1-[(5-formyl-6-methoxy-2-pyridinyl)oxy]-2,3-dihydro-1H-inden-4-yl]-2,3-dihydro-1H-inden-1-yl]oxy]-2-methoxypyridine-3-carbaldehyde
CID 135361085
6-[[3-[3-[[5-Formyl-6-methoxy-3-(trifluoromethyl)pyridin-2-yl]oxymethyl]-2-methylphenyl]-2-methylphenyl]methoxy]-2-methoxy-5-(trifluoromethyl)pyridine-3-carbaldehyde
CID 135361349
6-[[3-[2-Fluoro-3-[(5-formyl-6-methoxy-2-pyridinyl)oxymethyl]phenyl]-2-methylphenyl]methoxy]-2-methoxypyridine-3-carbaldehyde
CID 135361431
6-[2-Chloro-3-[2-chloro-5-fluoro-3-(5-formyl-6-methoxy-2-pyridinyl)phenyl]phenyl]-2-methoxypyridine-3-carbaldehyde
CID 146198720
2-Chloro-6-[[3-(trifluoromethyl)phenyl]methoxy]pyridine-3-carbaldehyde
CID 177245669
Bis[4-[(6-chloro-2-pyridinyl)oxy]phenyl]methanone
CID 21276323
6-[[3-(2,6-Dimethylphenyl)phenyl]methoxy]pyridine-3-carbaldehyde
CID 57787261

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[[3-[3-[(6-chloro-5-formyl-2-pyridinyl)oxymethyl]-2-methylphenyl]-2-methylphenyl]methoxy]pyridine-3-carbaldehyde?
The IUPAC name of 2-chloro-6-[[3-[3-[(6-chloro-5-formyl-2-pyridinyl)oxymethyl]-2-methylphenyl]-2-methylphenyl]methoxy]pyridine-3-carbaldehyde (CID 135361241) is 2-chloro-6-[[3-[3-[(6-chloro-5-formyl-2-pyridinyl)oxymethyl]-2-methylphenyl]-2-methylphenyl]methoxy]pyridine-3-carbaldehyde.
What is the SMILES notation for 2-chloro-6-[[3-[3-[(6-chloro-5-formyl-2-pyridinyl)oxymethyl]-2-methylphenyl]-2-methylphenyl]methoxy]pyridine-3-carbaldehyde?
The canonical SMILES for 2-chloro-6-[[3-[3-[(6-chloro-5-formyl-2-pyridinyl)oxymethyl]-2-methylphenyl]-2-methylphenyl]methoxy]pyridine-3-carbaldehyde is Cc1c(COc2ccc(C=O)c(Cl)n2)cccc1-c1cccc(COc2ccc(C=O)c(Cl)n2)c1C.
What is the InChIKey of 2-chloro-6-[[3-[3-[(6-chloro-5-formyl-2-pyridinyl)oxymethyl]-2-methylphenyl]-2-methylphenyl]methoxy]pyridine-3-carbaldehyde?
The InChIKey is WEOMYUYIYGKDPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22Cl2N2O4/c1-17-21(15-35-25-11-9-19(13-33)27(29)31-25)5-3-7-23(17)24-8-4-6-22(18(24)2)16-36-26-12-10-20(14-34)28(30)32-26/h3-14H,15-16H2,1-2H3.
What are the key properties of 2-chloro-6-[[3-[3-[(6-chloro-5-formyl-2-pyridinyl)oxymethyl]-2-methylphenyl]-2-methylphenyl]methoxy]pyridine-3-carbaldehyde?
2-chloro-6-[[3-[3-[(6-chloro-5-formyl-2-pyridinyl)oxymethyl]-2-methylphenyl]-2-methylphenyl]methoxy]pyridine-3-carbaldehyde has a molecular weight of 521.40 g/mol, XLogP of 6.85, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[[3-[3-[(6-chloro-5-formyl-2-pyridinyl)oxymethyl]-2-methylphenyl]-2-methylphenyl]methoxy]pyridine-3-carbaldehyde is sourced from PubChem (CID 135361241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).