5-bromo-4-methyl-2-(2,3,4,5,6-pentadeuteriophenyl)pyridine;chloro(trimethyl)silane;trimethyl-[4-methyl-6-(2,3,4,5,6-pentadeuteriophenyl)-3-pyridinyl]silane

C30H38BrClN2Si2 — CID 160884489

IUPAC5-bromo-4-methyl-2-(2,3,4,5,6-pentadeuteriophenyl)pyridine;chloro(trimethyl)silane;trimethyl-[4-methyl-6-(2,3,4,5,6-pentadeuteriophenyl)-3-pyridinyl]silane
SMILESC[Si](C)(C)Cl.[2H]c1c([2H])c([2H])c(-c2cc(C)c(Br)cn2)c([2H])c1[2H].[2H]c1c([2H])c([2H])c(-c2cc(C)c([Si](C)(C)C)cn2)c([2H])c1[2H]
InChIInChI=1S/C15H19NSi.C12H10BrN.C3H9ClSi/c1-12-10-14(13-8-6-5-7-9-13)16-11-15(12)17(2,3)4;1-9-7-12(14-8-11(9)13)10-5-3-2-4-6-10;1-5(2,3)4/h5-11H,1-4H3;2-8H,1H3;1-3H3/i5D,6D,7D,8D,9D;2D,3D,4D,5D,6D;
InChIKeySNLMMDQWGLNNQN-JKSLTCBDSA-N
MW608.24 g/mol
LogP9.48
Rot. Bonds3

About 5-bromo-4-methyl-2-(2,3,4,5,6-pentadeuteriophenyl)pyridine;chloro(trimethyl)silane;trimethyl-[4-methyl-6-(2,3,4,5,6-pentadeuteriophenyl)-3-pyridinyl]silane

5-bromo-4-methyl-2-(2,3,4,5,6-pentadeuteriophenyl)pyridine;chloro(trimethyl)silane;trimethyl-[4-methyl-6-(2,3,4,5,6-pentadeuteriophenyl)-3-pyridinyl]silane (PubChem CID 160884489) has the molecular formula C30H38BrClN2Si2 and a molecular weight of 608.24 g/mol. Its IUPAC name is 5-bromo-4-methyl-2-(2,3,4,5,6-pentadeuteriophenyl)pyridine;chloro(trimethyl)silane;trimethyl-[4-methyl-6-(2,3,4,5,6-pentadeuteriophenyl)-3-pyridinyl]silane.

Molecular Properties

Compound Name5-bromo-4-methyl-2-(2,3,4,5,6-pentadeuteriophenyl)pyridine;chloro(trimethyl)silane;trimethyl-[4-methyl-6-(2,3,4,5,6-pentadeuteriophenyl)-3-pyridinyl]silane
PubChem CID160884489
Molecular FormulaC30H38BrClN2Si2
Molecular Weight608.24 g/mol
Exact Mass606.21
IUPAC Name5-bromo-4-methyl-2-(2,3,4,5,6-pentadeuteriophenyl)pyridine;chloro(trimethyl)silane;trimethyl-[4-methyl-6-(2,3,4,5,6-pentadeuteriophenyl)-3-pyridinyl]silane
SMILESC[Si](C)(C)Cl.[2H]c1c([2H])c([2H])c(-c2cc(C)c(Br)cn2)c([2H])c1[2H].[2H]c1c([2H])c([2H])c(-c2cc(C)c([Si](C)(C)C)cn2)c([2H])c1[2H]
InChIInChI=1S/C15H19NSi.C12H10BrN.C3H9ClSi/c1-12-10-14(13-8-6-5-7-9-13)16-11-15(12)17(2,3)4;1-9-7-12(14-8-11(9)13)10-5-3-2-4-6-10;1-5(2,3)4/h5-11H,1-4H3;2-8H,1H3;1-3H3/i5D,6D,7D,8D,9D;2D,3D,4D,5D,6D;
InChIKeySNLMMDQWGLNNQN-JKSLTCBDSA-N
XLogP9.48
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500608.24
LogP ≤ 59.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-methyl-2-(2,3,4,5,6-pentadeuteriophenyl)pyridine;chloro(trimethyl)silane;trimethyl-[4-methyl-6-(2,3,4,5,6-pentadeuteriophenyl)-3-pyridinyl]silane?
The IUPAC name of 5-bromo-4-methyl-2-(2,3,4,5,6-pentadeuteriophenyl)pyridine;chloro(trimethyl)silane;trimethyl-[4-methyl-6-(2,3,4,5,6-pentadeuteriophenyl)-3-pyridinyl]silane (CID 160884489) is 5-bromo-4-methyl-2-(2,3,4,5,6-pentadeuteriophenyl)pyridine;chloro(trimethyl)silane;trimethyl-[4-methyl-6-(2,3,4,5,6-pentadeuteriophenyl)-3-pyridinyl]silane.
What is the SMILES notation for 5-bromo-4-methyl-2-(2,3,4,5,6-pentadeuteriophenyl)pyridine;chloro(trimethyl)silane;trimethyl-[4-methyl-6-(2,3,4,5,6-pentadeuteriophenyl)-3-pyridinyl]silane?
The canonical SMILES for 5-bromo-4-methyl-2-(2,3,4,5,6-pentadeuteriophenyl)pyridine;chloro(trimethyl)silane;trimethyl-[4-methyl-6-(2,3,4,5,6-pentadeuteriophenyl)-3-pyridinyl]silane is C[Si](C)(C)Cl.[2H]c1c([2H])c([2H])c(-c2cc(C)c(Br)cn2)c([2H])c1[2H].[2H]c1c([2H])c([2H])c(-c2cc(C)c([Si](C)(C)C)cn2)c([2H])c1[2H].
What is the InChIKey of 5-bromo-4-methyl-2-(2,3,4,5,6-pentadeuteriophenyl)pyridine;chloro(trimethyl)silane;trimethyl-[4-methyl-6-(2,3,4,5,6-pentadeuteriophenyl)-3-pyridinyl]silane?
The InChIKey is SNLMMDQWGLNNQN-JKSLTCBDSA-N. The full InChI is InChI=1S/C15H19NSi.C12H10BrN.C3H9ClSi/c1-12-10-14(13-8-6-5-7-9-13)16-11-15(12)17(2,3)4;1-9-7-12(14-8-11(9)13)10-5-3-2-4-6-10;1-5(2,3)4/h5-11H,1-4H3;2-8H,1H3;1-3H3/i5D,6D,7D,8D,9D;2D,3D,4D,5D,6D;.
What are the key properties of 5-bromo-4-methyl-2-(2,3,4,5,6-pentadeuteriophenyl)pyridine;chloro(trimethyl)silane;trimethyl-[4-methyl-6-(2,3,4,5,6-pentadeuteriophenyl)-3-pyridinyl]silane?
5-bromo-4-methyl-2-(2,3,4,5,6-pentadeuteriophenyl)pyridine;chloro(trimethyl)silane;trimethyl-[4-methyl-6-(2,3,4,5,6-pentadeuteriophenyl)-3-pyridinyl]silane has a molecular weight of 608.24 g/mol, XLogP of 9.48, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-methyl-2-(2,3,4,5,6-pentadeuteriophenyl)pyridine;chloro(trimethyl)silane;trimethyl-[4-methyl-6-(2,3,4,5,6-pentadeuteriophenyl)-3-pyridinyl]silane is sourced from PubChem (CID 160884489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).