3-[3-[tert-butyl(dimethyl)silyl]oxyprop-1-ynyl]-5-chloropyridine-2-carbaldehyde

C15H20ClNO2Si — CID 140769636

IUPAC3-[3-[tert-butyl(dimethyl)silyl]oxyprop-1-ynyl]-5-chloropyridine-2-carbaldehyde
SMILESCC(C)(C)[Si](C)(C)OCC#Cc1cc(Cl)cnc1C=O
InChIInChI=1S/C15H20ClNO2Si/c1-15(2,3)20(4,5)19-8-6-7-12-9-13(16)10-17-14(12)11-18/h9-11H,8H2,1-5H3
InChIKeyPCLPRGCWZANXSQ-UHFFFAOYSA-N
MW309.87 g/mol
LogP3.92
Rot. Bonds3

About 3-[3-[tert-butyl(dimethyl)silyl]oxyprop-1-ynyl]-5-chloropyridine-2-carbaldehyde

3-[3-[tert-butyl(dimethyl)silyl]oxyprop-1-ynyl]-5-chloropyridine-2-carbaldehyde (PubChem CID 140769636) has the molecular formula C15H20ClNO2Si and a molecular weight of 309.87 g/mol. Its IUPAC name is 3-[3-[tert-butyl(dimethyl)silyl]oxyprop-1-ynyl]-5-chloropyridine-2-carbaldehyde.

Molecular Properties

Compound Name3-[3-[tert-butyl(dimethyl)silyl]oxyprop-1-ynyl]-5-chloropyridine-2-carbaldehyde
PubChem CID140769636
Molecular FormulaC15H20ClNO2Si
Molecular Weight309.87 g/mol
Exact Mass309.10
IUPAC Name3-[3-[tert-butyl(dimethyl)silyl]oxyprop-1-ynyl]-5-chloropyridine-2-carbaldehyde
SMILESCC(C)(C)[Si](C)(C)OCC#Cc1cc(Cl)cnc1C=O
InChIInChI=1S/C15H20ClNO2Si/c1-15(2,3)20(4,5)19-8-6-7-12-9-13(16)10-17-14(12)11-18/h9-11H,8H2,1-5H3
InChIKeyPCLPRGCWZANXSQ-UHFFFAOYSA-N
XLogP3.92
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.87
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(2-bromo-4-chlorophenyl)prop-2-ynoxy-tert-butyl-dimethylsilane
CID 155571683
methyl 5-[3-[tert-butyl(dimethyl)silyl]oxyprop-1-ynyl]-6-chloropyridine-3-carboxylate
CID 151760274
5-[3-[tert-butyl(dimethyl)silyl]oxyprop-1-ynyl]-2-pyrrolo[2,3-c]pyridin-1-ylpyridine-4-carbaldehyde
CID 140783411
5-chloro-3-methoxypyridine-2-carbaldehyde;ethane
CID 144606570
4-[tert-butyl(dimethyl)silyl]oxy-1-(2-chloro-4-fluorophenyl)but-2-yn-1-one
CID 69154380
methyl 4-[3-[tert-butyl(dimethyl)silyl]oxyprop-1-ynyl]pyridine-2-carboxylate
CID 69356303
5-chloro-3-iodopyridine-2-carbaldehyde
CID 131589570
tert-butyl-(5-chloropent-2-ynoxy)-dimethylsilane
CID 57266578
tert-butyl-[4-(chloromethoxy)but-2-ynoxy]-dimethylsilane
CID 14320967
4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-chlorothiophene-2-carbaldehyde
CID 131745495
2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-chloro-1-methylindole-5-carbaldehyde
CID 89421812
5-chloro-3-(3,5-dichlorophenyl)pyridine-2-carbaldehyde
CID 133088128

Frequently Asked Questions

What is the IUPAC name of 3-[3-[tert-butyl(dimethyl)silyl]oxyprop-1-ynyl]-5-chloropyridine-2-carbaldehyde?
The IUPAC name of 3-[3-[tert-butyl(dimethyl)silyl]oxyprop-1-ynyl]-5-chloropyridine-2-carbaldehyde (CID 140769636) is 3-[3-[tert-butyl(dimethyl)silyl]oxyprop-1-ynyl]-5-chloropyridine-2-carbaldehyde.
What is the SMILES notation for 3-[3-[tert-butyl(dimethyl)silyl]oxyprop-1-ynyl]-5-chloropyridine-2-carbaldehyde?
The canonical SMILES for 3-[3-[tert-butyl(dimethyl)silyl]oxyprop-1-ynyl]-5-chloropyridine-2-carbaldehyde is CC(C)(C)[Si](C)(C)OCC#Cc1cc(Cl)cnc1C=O.
What is the InChIKey of 3-[3-[tert-butyl(dimethyl)silyl]oxyprop-1-ynyl]-5-chloropyridine-2-carbaldehyde?
The InChIKey is PCLPRGCWZANXSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO2Si/c1-15(2,3)20(4,5)19-8-6-7-12-9-13(16)10-17-14(12)11-18/h9-11H,8H2,1-5H3.
What are the key properties of 3-[3-[tert-butyl(dimethyl)silyl]oxyprop-1-ynyl]-5-chloropyridine-2-carbaldehyde?
3-[3-[tert-butyl(dimethyl)silyl]oxyprop-1-ynyl]-5-chloropyridine-2-carbaldehyde has a molecular weight of 309.87 g/mol, XLogP of 3.92, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[tert-butyl(dimethyl)silyl]oxyprop-1-ynyl]-5-chloropyridine-2-carbaldehyde is sourced from PubChem (CID 140769636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).