ethyl 2-methyl-6-phenyl-4-[2-tri(propan-2-yl)silylethynyl]pyridine-3-carboxylate

C26H35NO2Si — CID 134950158

IUPACethyl 2-methyl-6-phenyl-4-[2-tri(propan-2-yl)silylethynyl]pyridine-3-carboxylate
SMILESCCOC(=O)c1c(C#C[Si](C(C)C)(C(C)C)C(C)C)cc(-c2ccccc2)nc1C
InChIInChI=1S/C26H35NO2Si/c1-9-29-26(28)25-21(8)27-24(22-13-11-10-12-14-22)17-23(25)15-16-30(18(2)3,19(4)5)20(6)7/h10-14,17-20H,9H2,1-8H3
InChIKeyZLZXNIUMXYZHCG-UHFFFAOYSA-N
MW421.66 g/mol
LogP6.80
Rot. Bonds6

About ethyl 2-methyl-6-phenyl-4-[2-tri(propan-2-yl)silylethynyl]pyridine-3-carboxylate

ethyl 2-methyl-6-phenyl-4-[2-tri(propan-2-yl)silylethynyl]pyridine-3-carboxylate (PubChem CID 134950158) has the molecular formula C26H35NO2Si and a molecular weight of 421.66 g/mol. Its IUPAC name is ethyl 2-methyl-6-phenyl-4-[2-tri(propan-2-yl)silylethynyl]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-methyl-6-phenyl-4-[2-tri(propan-2-yl)silylethynyl]pyridine-3-carboxylate
PubChem CID134950158
Molecular FormulaC26H35NO2Si
Molecular Weight421.66 g/mol
Exact Mass421.24
IUPAC Nameethyl 2-methyl-6-phenyl-4-[2-tri(propan-2-yl)silylethynyl]pyridine-3-carboxylate
SMILESCCOC(=O)c1c(C#C[Si](C(C)C)(C(C)C)C(C)C)cc(-c2ccccc2)nc1C
InChIInChI=1S/C26H35NO2Si/c1-9-29-26(28)25-21(8)27-24(22-13-11-10-12-14-22)17-23(25)15-16-30(18(2)3,19(4)5)20(6)7/h10-14,17-20H,9H2,1-8H3
InChIKeyZLZXNIUMXYZHCG-UHFFFAOYSA-N
XLogP6.80
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.66
LogP ≤ 56.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-methyl-4-(3-nitrophenyl)-6-phenylpyridine-3-carboxylate
CID 10248079
ethyl 6-(2-fluorophenyl)-2-methyl-4-phenylpyridine-3-carboxylate
CID 132563026
ethyl 2-ethyl-4-methyl-6-phenylpyrimidine-5-carboxylate
CID 139241104
ethyl 2,6-diphenylpyrimidine-4-carboxylate
CID 15372800
3-O-benzyl 4-O-ethyl 2-methyl-6-(3-methylphenyl)pyridine-3,4-dicarboxylate
CID 102497550
3-O-benzyl 4-O-ethyl 6-(4-bromophenyl)-2-methylpyridine-3,4-dicarboxylate
CID 102497556
ethyl 2-(3-methylphenyl)-4,6-diphenylpyridine-3-carboxylate
CID 167433740
CID 154709525
CID 154709525
ethyl 2-amino-6-phenylpyridine-3-carboxylate
CID 1236695
ethane;ethyl 4-chloro-6-phenylpyridine-2-carboxylate
CID 143874733
ethyl 6-(3,5-difluorophenyl)-4-(2-hydroxypropyl)-2-methylpyridine-3-carboxylate
CID 143775742
ethyl 2-methyl-6-(3-nitrophenyl)pyridine-3-carboxylate
CID 115917495

Frequently Asked Questions

What is the IUPAC name of ethyl 2-methyl-6-phenyl-4-[2-tri(propan-2-yl)silylethynyl]pyridine-3-carboxylate?
The IUPAC name of ethyl 2-methyl-6-phenyl-4-[2-tri(propan-2-yl)silylethynyl]pyridine-3-carboxylate (CID 134950158) is ethyl 2-methyl-6-phenyl-4-[2-tri(propan-2-yl)silylethynyl]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 2-methyl-6-phenyl-4-[2-tri(propan-2-yl)silylethynyl]pyridine-3-carboxylate?
The canonical SMILES for ethyl 2-methyl-6-phenyl-4-[2-tri(propan-2-yl)silylethynyl]pyridine-3-carboxylate is CCOC(=O)c1c(C#C[Si](C(C)C)(C(C)C)C(C)C)cc(-c2ccccc2)nc1C.
What is the InChIKey of ethyl 2-methyl-6-phenyl-4-[2-tri(propan-2-yl)silylethynyl]pyridine-3-carboxylate?
The InChIKey is ZLZXNIUMXYZHCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35NO2Si/c1-9-29-26(28)25-21(8)27-24(22-13-11-10-12-14-22)17-23(25)15-16-30(18(2)3,19(4)5)20(6)7/h10-14,17-20H,9H2,1-8H3.
What are the key properties of ethyl 2-methyl-6-phenyl-4-[2-tri(propan-2-yl)silylethynyl]pyridine-3-carboxylate?
ethyl 2-methyl-6-phenyl-4-[2-tri(propan-2-yl)silylethynyl]pyridine-3-carboxylate has a molecular weight of 421.66 g/mol, XLogP of 6.80, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methyl-6-phenyl-4-[2-tri(propan-2-yl)silylethynyl]pyridine-3-carboxylate is sourced from PubChem (CID 134950158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).