[4-[tert-butyl(dimethyl)silyl]oxy-3-chlorophenyl]-(5-chloro-6-methoxy-2-pyridinyl)methanone

C19H23Cl2NO3Si — CID 67398382

IUPAC[4-[tert-butyl(dimethyl)silyl]oxy-3-chlorophenyl]-(5-chloro-6-methoxy-2-pyridinyl)methanone
SMILESCOc1nc(C(=O)c2ccc(O[Si](C)(C)C(C)(C)C)c(Cl)c2)ccc1Cl
InChIInChI=1S/C19H23Cl2NO3Si/c1-19(2,3)26(5,6)25-16-10-7-12(11-14(16)21)17(23)15-9-8-13(20)18(22-15)24-4/h7-11H,1-6H3
InChIKeyVRXGFMCDNLTKGE-UHFFFAOYSA-N
MW412.39 g/mol
LogP6.01
Rot. Bonds5

About [4-[tert-butyl(dimethyl)silyl]oxy-3-chlorophenyl]-(5-chloro-6-methoxy-2-pyridinyl)methanone

[4-[tert-butyl(dimethyl)silyl]oxy-3-chlorophenyl]-(5-chloro-6-methoxy-2-pyridinyl)methanone (PubChem CID 67398382) has the molecular formula C19H23Cl2NO3Si and a molecular weight of 412.39 g/mol. Its IUPAC name is [4-[tert-butyl(dimethyl)silyl]oxy-3-chlorophenyl]-(5-chloro-6-methoxy-2-pyridinyl)methanone.

Molecular Properties

Compound Name[4-[tert-butyl(dimethyl)silyl]oxy-3-chlorophenyl]-(5-chloro-6-methoxy-2-pyridinyl)methanone
PubChem CID67398382
Molecular FormulaC19H23Cl2NO3Si
Molecular Weight412.39 g/mol
Exact Mass411.08
IUPAC Name[4-[tert-butyl(dimethyl)silyl]oxy-3-chlorophenyl]-(5-chloro-6-methoxy-2-pyridinyl)methanone
SMILESCOc1nc(C(=O)c2ccc(O[Si](C)(C)C(C)(C)C)c(Cl)c2)ccc1Cl
InChIInChI=1S/C19H23Cl2NO3Si/c1-19(2,3)26(5,6)25-16-10-7-12(11-14(16)21)17(23)15-9-8-13(20)18(22-15)24-4/h7-11H,1-6H3
InChIKeyVRXGFMCDNLTKGE-UHFFFAOYSA-N
XLogP6.01
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.39
LogP ≤ 56.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[4-[tert-butyl(dimethyl)silyl]oxy-3-chlorophenyl]-(5-cyclopropyl-6-methoxy-2-pyridinyl)methanone
CID 58452780
(5-chloro-6-methoxy-2-pyridinyl)-(4-methoxyphenyl)methanone
CID 58452562
(5-chloro-6-methoxy-2-pyridinyl)-[4-(trifluoromethyl)phenyl]methanone
CID 67398819
[3-[tert-butyl(dimethyl)silyl]oxyphenyl]-(5-cyclopropyl-6-methoxy-2-pyridinyl)methanone
CID 67396211
3-[tert-butyl(dimethyl)silyl]oxy-4-methoxybenzoyl chloride
CID 10979521
(3-chloro-4-methoxyphenyl)-(6-methoxy-2-pyridinyl)methanone
CID 70836286
(5R)-5-[(E)-2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-(5-chloro-6-methoxy-2-pyridinyl)ethenyl]pyrrolidin-2-one
CID 67398498
[3,5-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]-(4-methoxyphenyl)methanone
CID 10950821
(3-chloro-4-propan-2-ylphenyl)-(5-cyclopropyl-6-methoxy-2-pyridinyl)methanone
CID 58452587
(5-chloro-6-methoxy-2-pyridinyl)-[4-(3-methylbutoxymethyl)phenyl]methanone
CID 58452738
(3,4-dichlorophenyl)-(4-methoxyphenyl)methanone
CID 2758123
tert-butyl-(2-chloro-4-ethylphenoxy)-dimethylsilane
CID 91180185

Frequently Asked Questions

What is the IUPAC name of [4-[tert-butyl(dimethyl)silyl]oxy-3-chlorophenyl]-(5-chloro-6-methoxy-2-pyridinyl)methanone?
The IUPAC name of [4-[tert-butyl(dimethyl)silyl]oxy-3-chlorophenyl]-(5-chloro-6-methoxy-2-pyridinyl)methanone (CID 67398382) is [4-[tert-butyl(dimethyl)silyl]oxy-3-chlorophenyl]-(5-chloro-6-methoxy-2-pyridinyl)methanone.
What is the SMILES notation for [4-[tert-butyl(dimethyl)silyl]oxy-3-chlorophenyl]-(5-chloro-6-methoxy-2-pyridinyl)methanone?
The canonical SMILES for [4-[tert-butyl(dimethyl)silyl]oxy-3-chlorophenyl]-(5-chloro-6-methoxy-2-pyridinyl)methanone is COc1nc(C(=O)c2ccc(O[Si](C)(C)C(C)(C)C)c(Cl)c2)ccc1Cl.
What is the InChIKey of [4-[tert-butyl(dimethyl)silyl]oxy-3-chlorophenyl]-(5-chloro-6-methoxy-2-pyridinyl)methanone?
The InChIKey is VRXGFMCDNLTKGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23Cl2NO3Si/c1-19(2,3)26(5,6)25-16-10-7-12(11-14(16)21)17(23)15-9-8-13(20)18(22-15)24-4/h7-11H,1-6H3.
What are the key properties of [4-[tert-butyl(dimethyl)silyl]oxy-3-chlorophenyl]-(5-chloro-6-methoxy-2-pyridinyl)methanone?
[4-[tert-butyl(dimethyl)silyl]oxy-3-chlorophenyl]-(5-chloro-6-methoxy-2-pyridinyl)methanone has a molecular weight of 412.39 g/mol, XLogP of 6.01, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[tert-butyl(dimethyl)silyl]oxy-3-chlorophenyl]-(5-chloro-6-methoxy-2-pyridinyl)methanone is sourced from PubChem (CID 67398382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).