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

C32H26F6N2O6 — CID 135361349

IUPAC6-[[3-[3-[[5-formyl-6-methoxy-3-(trifluoromethyl)-2-pyridinyl]oxymethyl]-2-methylphenyl]-2-methylphenyl]methoxy]-2-methoxy-5-(trifluoromethyl)pyridine-3-carbaldehyde
SMILESCOc1nc(OCc2cccc(-c3cccc(COc4nc(OC)c(C=O)cc4C(F)(F)F)c3C)c2C)c(C(F)(F)F)cc1C=O
InChIInChI=1S/C32H26F6N2O6/c1-17-19(15-45-29-25(31(33,34)35)11-21(13-41)27(39-29)43-3)7-5-9-23(17)24-10-6-8-20(18(24)2)16-46-30-26(32(36,37)38)12-22(14-42)28(40-30)44-4/h5-14H,15-16H2,1-4H3
InChIKeyMIDSYMPNNGLRAS-UHFFFAOYSA-N
MW648.56 g/mol
LogP7.60
Rot. Bonds11

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

6-[[3-[3-[[5-formyl-6-methoxy-3-(trifluoromethyl)-2-pyridinyl]oxymethyl]-2-methylphenyl]-2-methylphenyl]methoxy]-2-methoxy-5-(trifluoromethyl)pyridine-3-carbaldehyde (PubChem CID 135361349) has the molecular formula C32H26F6N2O6 and a molecular weight of 648.56 g/mol. Its IUPAC name is 6-[[3-[3-[[5-formyl-6-methoxy-3-(trifluoromethyl)-2-pyridinyl]oxymethyl]-2-methylphenyl]-2-methylphenyl]methoxy]-2-methoxy-5-(trifluoromethyl)pyridine-3-carbaldehyde.

Molecular Properties

Compound Name6-[[3-[3-[[5-formyl-6-methoxy-3-(trifluoromethyl)-2-pyridinyl]oxymethyl]-2-methylphenyl]-2-methylphenyl]methoxy]-2-methoxy-5-(trifluoromethyl)pyridine-3-carbaldehyde
PubChem CID135361349
Molecular FormulaC32H26F6N2O6
Molecular Weight648.56 g/mol
Exact Mass648.17
IUPAC Name6-[[3-[3-[[5-formyl-6-methoxy-3-(trifluoromethyl)-2-pyridinyl]oxymethyl]-2-methylphenyl]-2-methylphenyl]methoxy]-2-methoxy-5-(trifluoromethyl)pyridine-3-carbaldehyde
SMILESCOc1nc(OCc2cccc(-c3cccc(COc4nc(OC)c(C=O)cc4C(F)(F)F)c3C)c2C)c(C(F)(F)F)cc1C=O
InChIInChI=1S/C32H26F6N2O6/c1-17-19(15-45-29-25(31(33,34)35)11-21(13-41)27(39-29)43-3)7-5-9-23(17)24-10-6-8-20(18(24)2)16-46-30-26(32(36,37)38)12-22(14-42)28(40-30)44-4/h5-14H,15-16H2,1-4H3
InChIKeyMIDSYMPNNGLRAS-UHFFFAOYSA-N
XLogP7.60
TPSA96.84 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500648.56
LogP ≤ 57.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 6-[[3-[3-[[5-formyl-6-methoxy-3-(trifluoromethyl)-2-pyridinyl]oxymethyl]-2-methylphenyl]-2-methylphenyl]methoxy]-2-methoxy-5-(trifluoromethyl)pyridine-3-carbaldehyde with MolForge

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Related Compounds

2-Methoxy-6-((2-methyl-[1,1'-biphenyl]-3-YL)methoxy)nicotinaldehyde
CID 117941962
2,6-Bis(3-trifluoromethylphenoxy)pyridine-3-carboxaldehyde
CID 57430037
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-[2-Fluoro-3-[(5-formyl-6-methoxy-2-pyridinyl)oxymethyl]phenyl]-2-methylphenyl]methoxy]-2-methoxypyridine-3-carbaldehyde
CID 135361431
2-Methoxy-6-[[2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methoxy]-5-(trifluoromethyl)pyridine-3-carbaldehyde
CID 140933788
5-[[Tert-butyl(diphenyl)silyl]oxymethyl]-6-fluoro-2-phenylmethoxypyridine-3-carbaldehyde
CID 178834489
6-[(3Z)-1-[[5-formyl-6-methoxy-3-(trifluoromethyl)-2-pyridinyl]oxy]hexa-3,5-dienoxy]-2-methoxy-5-(trifluoromethyl)pyridine-3-carbaldehyde
CID 162609842
2-(2,6-Bis(benzyloxy)pyridin-3-yl)-4-(trifluoromethyl)benzaldehyde
CID 177746582
2-(2,6-Bis(benzyloxy)pyridin-3-yl)-4-fluorobenzaldehyde
CID 177746583

Frequently Asked Questions

What is the IUPAC name of 6-[[3-[3-[[5-formyl-6-methoxy-3-(trifluoromethyl)-2-pyridinyl]oxymethyl]-2-methylphenyl]-2-methylphenyl]methoxy]-2-methoxy-5-(trifluoromethyl)pyridine-3-carbaldehyde?
The IUPAC name of 6-[[3-[3-[[5-formyl-6-methoxy-3-(trifluoromethyl)-2-pyridinyl]oxymethyl]-2-methylphenyl]-2-methylphenyl]methoxy]-2-methoxy-5-(trifluoromethyl)pyridine-3-carbaldehyde (CID 135361349) is 6-[[3-[3-[[5-formyl-6-methoxy-3-(trifluoromethyl)-2-pyridinyl]oxymethyl]-2-methylphenyl]-2-methylphenyl]methoxy]-2-methoxy-5-(trifluoromethyl)pyridine-3-carbaldehyde.
What is the SMILES notation for 6-[[3-[3-[[5-formyl-6-methoxy-3-(trifluoromethyl)-2-pyridinyl]oxymethyl]-2-methylphenyl]-2-methylphenyl]methoxy]-2-methoxy-5-(trifluoromethyl)pyridine-3-carbaldehyde?
The canonical SMILES for 6-[[3-[3-[[5-formyl-6-methoxy-3-(trifluoromethyl)-2-pyridinyl]oxymethyl]-2-methylphenyl]-2-methylphenyl]methoxy]-2-methoxy-5-(trifluoromethyl)pyridine-3-carbaldehyde is COc1nc(OCc2cccc(-c3cccc(COc4nc(OC)c(C=O)cc4C(F)(F)F)c3C)c2C)c(C(F)(F)F)cc1C=O.
What is the InChIKey of 6-[[3-[3-[[5-formyl-6-methoxy-3-(trifluoromethyl)-2-pyridinyl]oxymethyl]-2-methylphenyl]-2-methylphenyl]methoxy]-2-methoxy-5-(trifluoromethyl)pyridine-3-carbaldehyde?
The InChIKey is MIDSYMPNNGLRAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H26F6N2O6/c1-17-19(15-45-29-25(31(33,34)35)11-21(13-41)27(39-29)43-3)7-5-9-23(17)24-10-6-8-20(18(24)2)16-46-30-26(32(36,37)38)12-22(14-42)28(40-30)44-4/h5-14H,15-16H2,1-4H3.
What are the key properties of 6-[[3-[3-[[5-formyl-6-methoxy-3-(trifluoromethyl)-2-pyridinyl]oxymethyl]-2-methylphenyl]-2-methylphenyl]methoxy]-2-methoxy-5-(trifluoromethyl)pyridine-3-carbaldehyde?
6-[[3-[3-[[5-formyl-6-methoxy-3-(trifluoromethyl)-2-pyridinyl]oxymethyl]-2-methylphenyl]-2-methylphenyl]methoxy]-2-methoxy-5-(trifluoromethyl)pyridine-3-carbaldehyde has a molecular weight of 648.56 g/mol, XLogP of 7.60, 11 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[3-[3-[[5-formyl-6-methoxy-3-(trifluoromethyl)-2-pyridinyl]oxymethyl]-2-methylphenyl]-2-methylphenyl]methoxy]-2-methoxy-5-(trifluoromethyl)pyridine-3-carbaldehyde is sourced from PubChem (CID 135361349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).