methyl 5-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-3-fluoropyridine-2-carboxylate

C15H24FNO4Si — CID 131748526

IUPACmethyl 5-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-3-fluoropyridine-2-carboxylate
SMILESCOC(=O)c1ncc(OCCO[Si](C)(C)C(C)(C)C)cc1F
InChIInChI=1S/C15H24FNO4Si/c1-15(2,3)22(5,6)21-8-7-20-11-9-12(16)13(17-10-11)14(18)19-4/h9-10H,7-8H2,1-6H3
InChIKeyCXNKAMAXFCJHAL-UHFFFAOYSA-N
MW329.44 g/mol
LogP3.41
Rot. Bonds6

About methyl 5-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-3-fluoropyridine-2-carboxylate

methyl 5-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-3-fluoropyridine-2-carboxylate (PubChem CID 131748526) has the molecular formula C15H24FNO4Si and a molecular weight of 329.44 g/mol. Its IUPAC name is methyl 5-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-3-fluoropyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-3-fluoropyridine-2-carboxylate
PubChem CID131748526
Molecular FormulaC15H24FNO4Si
Molecular Weight329.44 g/mol
Exact Mass329.15
IUPAC Namemethyl 5-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-3-fluoropyridine-2-carboxylate
SMILESCOC(=O)c1ncc(OCCO[Si](C)(C)C(C)(C)C)cc1F
InChIInChI=1S/C15H24FNO4Si/c1-15(2,3)22(5,6)21-8-7-20-11-9-12(16)13(17-10-11)14(18)19-4/h9-10H,7-8H2,1-6H3
InChIKeyCXNKAMAXFCJHAL-UHFFFAOYSA-N
XLogP3.41
TPSA57.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl 6-[4-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-2,6-difluorophenyl]-5-fluoropyridine-2-carboxylate
CID 66652485
methyl 5-(aminomethyl)-3-fluoropyridine-2-carboxylate
CID 117275720
methyl 5-(difluoromethyl)-3-fluoropyridine-2-carboxylate
CID 130096508
methyl 3-fluoro-5-[(2-hydroxy-2,3-dimethylbutanoyl)oxymethyl]pyridine-2-carboxylate
CID 167916298
tert-butyl-[2-[2-(4-fluoro-3-nitrophenoxy)ethoxy]ethoxy]-dimethylsilane
CID 178155414
methyl 3-methyl-5-[2-(methylamino)ethoxy]pyridine-2-carboxylate
CID 142465477
4-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-2-methoxybenzoic acid
CID 162506085
2-[(5-bromo-3-fluoro-2-pyridinyl)oxy]ethoxy-tert-butyl-dimethylsilane
CID 178175998
[4-[2-[2-[2-[2-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]-(4-chlorophenyl)methanone
CID 164811325
methyl 4-[1-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]ethyl]benzoate
CID 177320836
5-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]pyridine-3-carbonitrile
CID 174070466
tert-butyl-dimethyl-[2-(4-propoxyphenoxy)ethoxy]silane
CID 22032995

Frequently Asked Questions

What is the IUPAC name of methyl 5-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-3-fluoropyridine-2-carboxylate?
The IUPAC name of methyl 5-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-3-fluoropyridine-2-carboxylate (CID 131748526) is methyl 5-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-3-fluoropyridine-2-carboxylate.
What is the SMILES notation for methyl 5-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-3-fluoropyridine-2-carboxylate?
The canonical SMILES for methyl 5-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-3-fluoropyridine-2-carboxylate is COC(=O)c1ncc(OCCO[Si](C)(C)C(C)(C)C)cc1F.
What is the InChIKey of methyl 5-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-3-fluoropyridine-2-carboxylate?
The InChIKey is CXNKAMAXFCJHAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FNO4Si/c1-15(2,3)22(5,6)21-8-7-20-11-9-12(16)13(17-10-11)14(18)19-4/h9-10H,7-8H2,1-6H3.
What are the key properties of methyl 5-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-3-fluoropyridine-2-carboxylate?
methyl 5-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-3-fluoropyridine-2-carboxylate has a molecular weight of 329.44 g/mol, XLogP of 3.41, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-3-fluoropyridine-2-carboxylate is sourced from PubChem (CID 131748526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).