trimethyl-[1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-pyridin-4-yl]stannane

C14H26BNO2Sn — CID 78224417

IUPACtrimethyl-[1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-pyridin-4-yl]stannane
SMILESCC1(C)OB(N2C=CC([Sn](C)(C)C)=CC2)OC1(C)C
InChIInChI=1S/C11H17BNO2.3CH3.Sn/c1-10(2)11(3,4)15-12(14-10)13-8-6-5-7-9-13;;;;/h6-8H,9H2,1-4H3;3*1H3;
InChIKeyWEVUVXHCTQIPKB-UHFFFAOYSA-N
MW369.89 g/mol
LogP3.21
Rot. Bonds2

About trimethyl-[1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-pyridin-4-yl]stannane

trimethyl-[1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-pyridin-4-yl]stannane (PubChem CID 78224417) has the molecular formula C14H26BNO2Sn and a molecular weight of 369.89 g/mol. Its IUPAC name is trimethyl-[1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-pyridin-4-yl]stannane.

Molecular Properties

Compound Nametrimethyl-[1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-pyridin-4-yl]stannane
PubChem CID78224417
Molecular FormulaC14H26BNO2Sn
Molecular Weight369.89 g/mol
Exact Mass371.11
IUPAC Nametrimethyl-[1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-pyridin-4-yl]stannane
SMILESCC1(C)OB(N2C=CC([Sn](C)(C)C)=CC2)OC1(C)C
InChIInChI=1S/C11H17BNO2.3CH3.Sn/c1-10(2)11(3,4)15-12(14-10)13-8-6-5-7-9-13;;;;/h6-8H,9H2,1-4H3;3*1H3;
InChIKeyWEVUVXHCTQIPKB-UHFFFAOYSA-N
XLogP3.21
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.89
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-phenyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-pyridine
CID 78224403
1,3,5-tris(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,5-triazinane
CID 154717021
3,5-dichloro-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4H-pyridine
CID 139125867
2-[(1E)-1-cyclohexa-2,4-dien-1-ylideneethyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 174012224
N,N-dimethyl-3,5-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-imidazole-1-carboxamide
CID 25000745
1,3-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine
CID 164753541
2-(1,2-dihydrophosphinin-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 90048473
5-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-pyrrole
CID 152792101
1-(2-fluoro-4-nitrophenyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine
CID 164719806
1,4-dimethyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
CID 91001245
1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohexa-2,4-dien-1-ol
CID 150464617
4,4,5,5-tetramethyl-2-[2,4,5-tris(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,2-dioxaborolane
CID 66897544

Frequently Asked Questions

What is the IUPAC name of trimethyl-[1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-pyridin-4-yl]stannane?
The IUPAC name of trimethyl-[1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-pyridin-4-yl]stannane (CID 78224417) is trimethyl-[1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-pyridin-4-yl]stannane.
What is the SMILES notation for trimethyl-[1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-pyridin-4-yl]stannane?
The canonical SMILES for trimethyl-[1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-pyridin-4-yl]stannane is CC1(C)OB(N2C=CC([Sn](C)(C)C)=CC2)OC1(C)C.
What is the InChIKey of trimethyl-[1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-pyridin-4-yl]stannane?
The InChIKey is WEVUVXHCTQIPKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BNO2.3CH3.Sn/c1-10(2)11(3,4)15-12(14-10)13-8-6-5-7-9-13;;;;/h6-8H,9H2,1-4H3;3*1H3;.
What are the key properties of trimethyl-[1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-pyridin-4-yl]stannane?
trimethyl-[1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-pyridin-4-yl]stannane has a molecular weight of 369.89 g/mol, XLogP of 3.21, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-pyridin-4-yl]stannane is sourced from PubChem (CID 78224417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).