6-[(2-chloro-6-fluorophenyl)methoxy]-2-(2-trimethylsilylethoxy)pyridine-3-carbaldehyde

C18H21ClFNO3Si — CID 178141204

IUPAC6-[(2-chloro-6-fluorophenyl)methoxy]-2-(2-trimethylsilylethoxy)pyridine-3-carbaldehyde
SMILESC[Si](C)(C)CCOc1nc(OCc2c(F)cccc2Cl)ccc1C=O
InChIInChI=1S/C18H21ClFNO3Si/c1-25(2,3)10-9-23-18-13(11-22)7-8-17(21-18)24-12-14-15(19)5-4-6-16(14)20/h4-8,11H,9-10,12H2,1-3H3
InChIKeyOKLJFMHHTWTAJD-UHFFFAOYSA-N
MW381.91 g/mol
LogP4.98
Rot. Bonds8

About 6-[(2-chloro-6-fluorophenyl)methoxy]-2-(2-trimethylsilylethoxy)pyridine-3-carbaldehyde

6-[(2-chloro-6-fluorophenyl)methoxy]-2-(2-trimethylsilylethoxy)pyridine-3-carbaldehyde (PubChem CID 178141204) has the molecular formula C18H21ClFNO3Si and a molecular weight of 381.91 g/mol. Its IUPAC name is 6-[(2-chloro-6-fluorophenyl)methoxy]-2-(2-trimethylsilylethoxy)pyridine-3-carbaldehyde.

Molecular Properties

Compound Name6-[(2-chloro-6-fluorophenyl)methoxy]-2-(2-trimethylsilylethoxy)pyridine-3-carbaldehyde
PubChem CID178141204
Molecular FormulaC18H21ClFNO3Si
Molecular Weight381.91 g/mol
Exact Mass381.10
IUPAC Name6-[(2-chloro-6-fluorophenyl)methoxy]-2-(2-trimethylsilylethoxy)pyridine-3-carbaldehyde
SMILESC[Si](C)(C)CCOc1nc(OCc2c(F)cccc2Cl)ccc1C=O
InChIInChI=1S/C18H21ClFNO3Si/c1-25(2,3)10-9-23-18-13(11-22)7-8-17(21-18)24-12-14-15(19)5-4-6-16(14)20/h4-8,11H,9-10,12H2,1-3H3
InChIKeyOKLJFMHHTWTAJD-UHFFFAOYSA-N
XLogP4.98
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.91
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Tert-butyl 2-chloro-6-[(3-fluorophenyl)methoxy]pyridine-3-carboxylate
CID 58368255
2-Chloro-6-[(3-fluorophenyl)methoxy]pyridine-3-carboxylic acid
CID 87246747
Methyl 2-chloro-6-(4-fluorophenoxy)pyridine-3-carboxylate
CID 134204706
6-[[(1R,2S)-4-chloro-2-fluoro-2,3-dihydro-1H-inden-1-yl]oxy]-2-methoxypyridine-3-carbaldehyde
CID 135361014
6-[[2-Fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methoxy]-2-methoxypyridine-3-carbaldehyde
CID 140933767
2-Chloro-5-fluoro-6-phenylmethoxy-4-(trifluoromethyl)pyridine-3-carbaldehyde
CID 163233263
6-[(4-Chloro-2-fluorophenyl)methoxy]-2-fluoropyridine-3-carbaldehyde
CID 167438484
6-[(4-Chloro-2-fluorophenyl)methoxy]pyridine-3-carbaldehyde
CID 175862949
2-Chloro-6-[[3-(trifluoromethyl)phenyl]methoxy]pyridine-3-carbaldehyde
CID 177245669
6-[(2-Chloro-6-fluorophenyl)methoxy]-5-fluoro-2-methylpyridine-3-carbaldehyde
CID 178141539
6-[(2-Chloro-6-fluorophenyl)methoxy]-5-fluoropyridine-3-carbaldehyde
CID 178141837
6-[(2-Chloro-6-fluorophenyl)methoxy]pyridine-3-carbaldehyde
CID 178141880

Frequently Asked Questions

What is the IUPAC name of 6-[(2-chloro-6-fluorophenyl)methoxy]-2-(2-trimethylsilylethoxy)pyridine-3-carbaldehyde?
The IUPAC name of 6-[(2-chloro-6-fluorophenyl)methoxy]-2-(2-trimethylsilylethoxy)pyridine-3-carbaldehyde (CID 178141204) is 6-[(2-chloro-6-fluorophenyl)methoxy]-2-(2-trimethylsilylethoxy)pyridine-3-carbaldehyde.
What is the SMILES notation for 6-[(2-chloro-6-fluorophenyl)methoxy]-2-(2-trimethylsilylethoxy)pyridine-3-carbaldehyde?
The canonical SMILES for 6-[(2-chloro-6-fluorophenyl)methoxy]-2-(2-trimethylsilylethoxy)pyridine-3-carbaldehyde is C[Si](C)(C)CCOc1nc(OCc2c(F)cccc2Cl)ccc1C=O.
What is the InChIKey of 6-[(2-chloro-6-fluorophenyl)methoxy]-2-(2-trimethylsilylethoxy)pyridine-3-carbaldehyde?
The InChIKey is OKLJFMHHTWTAJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClFNO3Si/c1-25(2,3)10-9-23-18-13(11-22)7-8-17(21-18)24-12-14-15(19)5-4-6-16(14)20/h4-8,11H,9-10,12H2,1-3H3.
What are the key properties of 6-[(2-chloro-6-fluorophenyl)methoxy]-2-(2-trimethylsilylethoxy)pyridine-3-carbaldehyde?
6-[(2-chloro-6-fluorophenyl)methoxy]-2-(2-trimethylsilylethoxy)pyridine-3-carbaldehyde has a molecular weight of 381.91 g/mol, XLogP of 4.98, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-chloro-6-fluorophenyl)methoxy]-2-(2-trimethylsilylethoxy)pyridine-3-carbaldehyde is sourced from PubChem (CID 178141204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).