ethyl 2-chloro-4-[4-tri(propan-2-yl)silyloxyphenyl]pyridine-3-carboxylate

C23H32ClNO3Si — CID 102590449

IUPACethyl 2-chloro-4-[4-tri(propan-2-yl)silyloxyphenyl]pyridine-3-carboxylate
SMILESCCOC(=O)c1c(-c2ccc(O[Si](C(C)C)(C(C)C)C(C)C)cc2)ccnc1Cl
InChIInChI=1S/C23H32ClNO3Si/c1-8-27-23(26)21-20(13-14-25-22(21)24)18-9-11-19(12-10-18)28-29(15(2)3,16(4)5)17(6)7/h9-17H,8H2,1-7H3
InChIKeyIQTFLFORGZVQBN-UHFFFAOYSA-N
MW434.05 g/mol
LogP7.13
Rot. Bonds8

About ethyl 2-chloro-4-[4-tri(propan-2-yl)silyloxyphenyl]pyridine-3-carboxylate

ethyl 2-chloro-4-[4-tri(propan-2-yl)silyloxyphenyl]pyridine-3-carboxylate (PubChem CID 102590449) has the molecular formula C23H32ClNO3Si and a molecular weight of 434.05 g/mol. Its IUPAC name is ethyl 2-chloro-4-[4-tri(propan-2-yl)silyloxyphenyl]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-chloro-4-[4-tri(propan-2-yl)silyloxyphenyl]pyridine-3-carboxylate
PubChem CID102590449
Molecular FormulaC23H32ClNO3Si
Molecular Weight434.05 g/mol
Exact Mass433.18
IUPAC Nameethyl 2-chloro-4-[4-tri(propan-2-yl)silyloxyphenyl]pyridine-3-carboxylate
SMILESCCOC(=O)c1c(-c2ccc(O[Si](C(C)C)(C(C)C)C(C)C)cc2)ccnc1Cl
InChIInChI=1S/C23H32ClNO3Si/c1-8-27-23(26)21-20(13-14-25-22(21)24)18-9-11-19(12-10-18)28-29(15(2)3,16(4)5)17(6)7/h9-17H,8H2,1-7H3
InChIKeyIQTFLFORGZVQBN-UHFFFAOYSA-N
XLogP7.13
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.05
LogP ≤ 57.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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CID 86639619
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ethyl 4-chloro-2-formylpyridine-3-carboxylate
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ethyl 2-chloro-8-phenylcyclohepta[b]pyrrole-3-carboxylate
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butyl 4-butoxy-2-chloropyridine-3-carboxylate
CID 122551404
ethyl 2-(chloromethyl)-4-methoxy-6-tri(propan-2-yl)silyloxybenzoate
CID 102453799
ethyl 2-amino-4-methyl-6-[4-(2-methylpropoxy)phenyl]pyrimidine-5-carboxylate
CID 54851374
ethyl 2-chloro-3-pyridin-4-ylpyridine-4-carboxylate
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ethyl 4-(4-ethoxyphenyl)-2-(2-ethylbutanoylamino)thiophene-3-carboxylate
CID 35569964
diethyl 2-amino-6-propan-2-ylazulene-1,3-dicarboxylate
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ethyl 1-chloro-5,7-dioxocyclopenta[c]pyridine-6-carboxylate
CID 87891100

Frequently Asked Questions

What is the IUPAC name of ethyl 2-chloro-4-[4-tri(propan-2-yl)silyloxyphenyl]pyridine-3-carboxylate?
The IUPAC name of ethyl 2-chloro-4-[4-tri(propan-2-yl)silyloxyphenyl]pyridine-3-carboxylate (CID 102590449) is ethyl 2-chloro-4-[4-tri(propan-2-yl)silyloxyphenyl]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 2-chloro-4-[4-tri(propan-2-yl)silyloxyphenyl]pyridine-3-carboxylate?
The canonical SMILES for ethyl 2-chloro-4-[4-tri(propan-2-yl)silyloxyphenyl]pyridine-3-carboxylate is CCOC(=O)c1c(-c2ccc(O[Si](C(C)C)(C(C)C)C(C)C)cc2)ccnc1Cl.
What is the InChIKey of ethyl 2-chloro-4-[4-tri(propan-2-yl)silyloxyphenyl]pyridine-3-carboxylate?
The InChIKey is IQTFLFORGZVQBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32ClNO3Si/c1-8-27-23(26)21-20(13-14-25-22(21)24)18-9-11-19(12-10-18)28-29(15(2)3,16(4)5)17(6)7/h9-17H,8H2,1-7H3.
What are the key properties of ethyl 2-chloro-4-[4-tri(propan-2-yl)silyloxyphenyl]pyridine-3-carboxylate?
ethyl 2-chloro-4-[4-tri(propan-2-yl)silyloxyphenyl]pyridine-3-carboxylate has a molecular weight of 434.05 g/mol, XLogP of 7.13, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-chloro-4-[4-tri(propan-2-yl)silyloxyphenyl]pyridine-3-carboxylate is sourced from PubChem (CID 102590449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).