tert-butyl-[[2-chloro-4,6-bis(phenylmethoxy)-3-pyridinyl]methoxy]-dimethylsilane;5-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-chloro-2,4-bis(phenylmethoxy)pyridine-3-carboxylic acid

C53H64Cl2N2O8Si2 — CID 159227039

IUPACtert-butyl-[[2-chloro-4,6-bis(phenylmethoxy)-3-pyridinyl]methoxy]-dimethylsilane;5-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-chloro-2,4-bis(phenylmethoxy)pyridine-3-carboxylic acid
SMILESCC(C)(C)[Si](C)(C)OCc1c(Cl)nc(OCc2ccccc2)c(C(=O)O)c1OCc1ccccc1.CC(C)(C)[Si](C)(C)OCc1c(OCc2ccccc2)cc(OCc2ccccc2)nc1Cl
InChIInChI=1S/C27H32ClNO5Si.C26H32ClNO3Si/c1-27(2,3)35(4,5)34-18-21-23(32-16-19-12-8-6-9-13-19)22(26(30)31)25(29-24(21)28)33-17-20-14-10-7-11-15-20;1-26(2,3)32(4,5)31-19-22-23(29-17-20-12-8-6-9-13-20)16-24(28-25(22)27)30-18-21-14-10-7-11-15-21/h6-15H,16-18H2,1-5H3,(H,30,31);6-16H,17-19H2,1-5H3
InChIKeyKSKNWFWRTLXTPV-UHFFFAOYSA-N
MW984.18 g/mol
LogP14.53
Rot. Bonds19

About tert-butyl-[[2-chloro-4,6-bis(phenylmethoxy)-3-pyridinyl]methoxy]-dimethylsilane;5-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-chloro-2,4-bis(phenylmethoxy)pyridine-3-carboxylic acid

tert-butyl-[[2-chloro-4,6-bis(phenylmethoxy)-3-pyridinyl]methoxy]-dimethylsilane;5-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-chloro-2,4-bis(phenylmethoxy)pyridine-3-carboxylic acid (PubChem CID 159227039) has the molecular formula C53H64Cl2N2O8Si2 and a molecular weight of 984.18 g/mol. Its IUPAC name is tert-butyl-[[2-chloro-4,6-bis(phenylmethoxy)-3-pyridinyl]methoxy]-dimethylsilane;5-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-chloro-2,4-bis(phenylmethoxy)pyridine-3-carboxylic acid.

Molecular Properties

Compound Nametert-butyl-[[2-chloro-4,6-bis(phenylmethoxy)-3-pyridinyl]methoxy]-dimethylsilane;5-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-chloro-2,4-bis(phenylmethoxy)pyridine-3-carboxylic acid
PubChem CID159227039
Molecular FormulaC53H64Cl2N2O8Si2
Molecular Weight984.18 g/mol
Exact Mass982.36
IUPAC Nametert-butyl-[[2-chloro-4,6-bis(phenylmethoxy)-3-pyridinyl]methoxy]-dimethylsilane;5-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-chloro-2,4-bis(phenylmethoxy)pyridine-3-carboxylic acid
SMILESCC(C)(C)[Si](C)(C)OCc1c(Cl)nc(OCc2ccccc2)c(C(=O)O)c1OCc1ccccc1.CC(C)(C)[Si](C)(C)OCc1c(OCc2ccccc2)cc(OCc2ccccc2)nc1Cl
InChIInChI=1S/C27H32ClNO5Si.C26H32ClNO3Si/c1-27(2,3)35(4,5)34-18-21-23(32-16-19-12-8-6-9-13-19)22(26(30)31)25(29-24(21)28)33-17-20-14-10-7-11-15-20;1-26(2,3)32(4,5)31-19-22-23(29-17-20-12-8-6-9-13-20)16-24(28-25(22)27)30-18-21-14-10-7-11-15-21/h6-15H,16-18H2,1-5H3,(H,30,31);6-16H,17-19H2,1-5H3
InChIKeyKSKNWFWRTLXTPV-UHFFFAOYSA-N
XLogP14.53
TPSA118.46 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds19
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500984.18
LogP ≤ 514.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze tert-butyl-[[2-chloro-4,6-bis(phenylmethoxy)-3-pyridinyl]methoxy]-dimethylsilane;5-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-chloro-2,4-bis(phenylmethoxy)pyridine-3-carboxylic acid with MolForge

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Related Compounds

6-chloro-5-ethyl-2,4-bis(phenylmethoxy)pyridine-3-carboxylic acid
CID 159161134
2-chloro-3-ethyl-4,6-bis(phenylmethoxy)pyridine
CID 89421768
tert-butyl-[[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-phenylmethoxyphenyl]methoxy]-dimethylsilane
CID 57099550
N-[2-[3-[tert-butyl(dimethyl)silyl]oxypropoxy]phenyl]-3,5-dichloro-4-phenylmethoxybenzamide
CID 69233279
4,7-dimethoxy-6-phenylmethoxynaphthalene-2-carboxylic acid
CID 73013799
[[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-phenylmethoxy-2-pyridinyl]-phenylmethyl] acetate
CID 18182272
2,4-dimethoxy-6-phenylmethoxybenzoic acid
CID 70481203
3,4-bis(phenylmethoxy)pyridine-2,6-dicarboxylic acid
CID 54512111
3-methoxy-1-phenylmethoxynaphthalene-2-carboxylic acid
CID 54035812
2-bromo-1-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-phenylmethoxyphenyl]ethanol
CID 76807098
2,6-dimethyl-4-phenylmethoxypyridine-3-carboxylic acid
CID 81053468
1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-methyl-4-phenylmethoxypyrazole-5-carbohydrazide
CID 177070458

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[[2-chloro-4,6-bis(phenylmethoxy)-3-pyridinyl]methoxy]-dimethylsilane;5-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-chloro-2,4-bis(phenylmethoxy)pyridine-3-carboxylic acid?
The IUPAC name of tert-butyl-[[2-chloro-4,6-bis(phenylmethoxy)-3-pyridinyl]methoxy]-dimethylsilane;5-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-chloro-2,4-bis(phenylmethoxy)pyridine-3-carboxylic acid (CID 159227039) is tert-butyl-[[2-chloro-4,6-bis(phenylmethoxy)-3-pyridinyl]methoxy]-dimethylsilane;5-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-chloro-2,4-bis(phenylmethoxy)pyridine-3-carboxylic acid.
What is the SMILES notation for tert-butyl-[[2-chloro-4,6-bis(phenylmethoxy)-3-pyridinyl]methoxy]-dimethylsilane;5-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-chloro-2,4-bis(phenylmethoxy)pyridine-3-carboxylic acid?
The canonical SMILES for tert-butyl-[[2-chloro-4,6-bis(phenylmethoxy)-3-pyridinyl]methoxy]-dimethylsilane;5-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-chloro-2,4-bis(phenylmethoxy)pyridine-3-carboxylic acid is CC(C)(C)[Si](C)(C)OCc1c(Cl)nc(OCc2ccccc2)c(C(=O)O)c1OCc1ccccc1.CC(C)(C)[Si](C)(C)OCc1c(OCc2ccccc2)cc(OCc2ccccc2)nc1Cl.
What is the InChIKey of tert-butyl-[[2-chloro-4,6-bis(phenylmethoxy)-3-pyridinyl]methoxy]-dimethylsilane;5-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-chloro-2,4-bis(phenylmethoxy)pyridine-3-carboxylic acid?
The InChIKey is KSKNWFWRTLXTPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32ClNO5Si.C26H32ClNO3Si/c1-27(2,3)35(4,5)34-18-21-23(32-16-19-12-8-6-9-13-19)22(26(30)31)25(29-24(21)28)33-17-20-14-10-7-11-15-20;1-26(2,3)32(4,5)31-19-22-23(29-17-20-12-8-6-9-13-20)16-24(28-25(22)27)30-18-21-14-10-7-11-15-21/h6-15H,16-18H2,1-5H3,(H,30,31);6-16H,17-19H2,1-5H3.
What are the key properties of tert-butyl-[[2-chloro-4,6-bis(phenylmethoxy)-3-pyridinyl]methoxy]-dimethylsilane;5-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-chloro-2,4-bis(phenylmethoxy)pyridine-3-carboxylic acid?
tert-butyl-[[2-chloro-4,6-bis(phenylmethoxy)-3-pyridinyl]methoxy]-dimethylsilane;5-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-chloro-2,4-bis(phenylmethoxy)pyridine-3-carboxylic acid has a molecular weight of 984.18 g/mol, XLogP of 14.53, 19 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[2-chloro-4,6-bis(phenylmethoxy)-3-pyridinyl]methoxy]-dimethylsilane;5-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-chloro-2,4-bis(phenylmethoxy)pyridine-3-carboxylic acid is sourced from PubChem (CID 159227039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).