2-(4,4-dimethylcyclopenten-1-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine

C18H26BNO2 — CID 140838308

IUPAC2-(4,4-dimethylcyclopenten-1-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
SMILESCC1(C)CC=C(c2ccc(B3OC(C)(C)C(C)(C)O3)cn2)C1
InChIInChI=1S/C18H26BNO2/c1-16(2)10-9-13(11-16)15-8-7-14(12-20-15)19-21-17(3,4)18(5,6)22-19/h7-9,12H,10-11H2,1-6H3
InChIKeyZPSVPFVMGAZRQQ-UHFFFAOYSA-N
MW299.22 g/mol
LogP3.58
Rot. Bonds2

About 2-(4,4-dimethylcyclopenten-1-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine

2-(4,4-dimethylcyclopenten-1-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine (PubChem CID 140838308) has the molecular formula C18H26BNO2 and a molecular weight of 299.22 g/mol. Its IUPAC name is 2-(4,4-dimethylcyclopenten-1-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine.

Molecular Properties

Compound Name2-(4,4-dimethylcyclopenten-1-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
PubChem CID140838308
Molecular FormulaC18H26BNO2
Molecular Weight299.22 g/mol
Exact Mass299.21
IUPAC Name2-(4,4-dimethylcyclopenten-1-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
SMILESCC1(C)CC=C(c2ccc(B3OC(C)(C)C(C)(C)O3)cn2)C1
InChIInChI=1S/C18H26BNO2/c1-16(2)10-9-13(11-16)15-8-7-14(12-20-15)19-21-17(3,4)18(5,6)22-19/h7-9,12H,10-11H2,1-6H3
InChIKeyZPSVPFVMGAZRQQ-UHFFFAOYSA-N
XLogP3.58
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.22
LogP ≤ 53.58
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

2-pyridin-3-yl-5-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]pyridine
CID 90182370
2-(8-oxabicyclo[3.2.1]oct-2-en-3-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
CID 171972793
8-methyl-3-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]-8-azabicyclo[3.2.1]oct-2-ene
CID 171971785
2-(4-tert-butylphenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
CID 140838563
2-cyclopropyl-5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyridine
CID 176676479
2-[10-(4-phenylphenyl)anthracen-9-yl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
CID 142353452
5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(4-tricyclo[6.2.2.02,7]dodeca-2(7),3,5-trienyl)pyridine
CID 140838775
2-methylsulfanyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
CID 44755191
2-(difluoromethoxy)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
CID 71238325
2-(3-methoxy-4-methylphenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
CID 142438972
5-bromo-2-phenylpyridine;2-phenyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
CID 159971290
5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrimidine
CID 142321910

Frequently Asked Questions

What is the IUPAC name of 2-(4,4-dimethylcyclopenten-1-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine?
The IUPAC name of 2-(4,4-dimethylcyclopenten-1-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine (CID 140838308) is 2-(4,4-dimethylcyclopenten-1-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine.
What is the SMILES notation for 2-(4,4-dimethylcyclopenten-1-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine?
The canonical SMILES for 2-(4,4-dimethylcyclopenten-1-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine is CC1(C)CC=C(c2ccc(B3OC(C)(C)C(C)(C)O3)cn2)C1.
What is the InChIKey of 2-(4,4-dimethylcyclopenten-1-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine?
The InChIKey is ZPSVPFVMGAZRQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26BNO2/c1-16(2)10-9-13(11-16)15-8-7-14(12-20-15)19-21-17(3,4)18(5,6)22-19/h7-9,12H,10-11H2,1-6H3.
What are the key properties of 2-(4,4-dimethylcyclopenten-1-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine?
2-(4,4-dimethylcyclopenten-1-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine has a molecular weight of 299.22 g/mol, XLogP of 3.58, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-dimethylcyclopenten-1-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine is sourced from PubChem (CID 140838308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).