2,6-dimethyl-4-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]pyridine

C19H24BNO3 — CID 164751136

IUPAC2,6-dimethyl-4-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]pyridine
SMILESCc1cc(Oc2cccc(B3OC(C)(C)C(C)(C)O3)c2)cc(C)n1
InChIInChI=1S/C19H24BNO3/c1-13-10-17(11-14(2)21-13)22-16-9-7-8-15(12-16)20-23-18(3,4)19(5,6)24-20/h7-12H,1-6H3
InChIKeyRAWVVMVLXVNNCW-UHFFFAOYSA-N
MW325.22 g/mol
LogP3.79
Rot. Bonds3

About 2,6-dimethyl-4-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]pyridine

2,6-dimethyl-4-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]pyridine (PubChem CID 164751136) has the molecular formula C19H24BNO3 and a molecular weight of 325.22 g/mol. Its IUPAC name is 2,6-dimethyl-4-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]pyridine.

Molecular Properties

Compound Name2,6-dimethyl-4-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]pyridine
PubChem CID164751136
Molecular FormulaC19H24BNO3
Molecular Weight325.22 g/mol
Exact Mass325.18
IUPAC Name2,6-dimethyl-4-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]pyridine
SMILESCc1cc(Oc2cccc(B3OC(C)(C)C(C)(C)O3)c2)cc(C)n1
InChIInChI=1S/C19H24BNO3/c1-13-10-17(11-14(2)21-13)22-16-9-7-8-15(12-16)20-23-18(3,4)19(5,6)24-20/h7-12H,1-6H3
InChIKeyRAWVVMVLXVNNCW-UHFFFAOYSA-N
XLogP3.79
TPSA40.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.22
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[3-(4-chlorophenoxy)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 86681306
4-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]benzaldehyde
CID 167740881
4,4,5,5-tetramethyl-2-(3-methylperoxyphenyl)-1,3,2-dioxaborolane
CID 2759578
2-(3-ethoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 79661720
4,4,5,5-tetramethyl-2-[3-(trifluoromethoxy)phenyl]-1,3,2-dioxaborolane
CID 2760602
2-methyl-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]pyridine
CID 59287315
3-iodopyridine;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol;3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]pyridine
CID 165101763
1-fluoro-4-(3-iodophenoxy)benzene;2-[3-(4-fluorophenoxy)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
CID 157473837
3-fluoro-4-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]aniline
CID 75487022
2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]propan-1-ol
CID 174054948
4,4,5,5-tetramethyl-2-[3-(oxan-4-yloxy)phenyl]-1,3,2-dioxaborolane
CID 130161711
2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]ethylcarbamic acid
CID 141435206

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]pyridine?
The IUPAC name of 2,6-dimethyl-4-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]pyridine (CID 164751136) is 2,6-dimethyl-4-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]pyridine.
What is the SMILES notation for 2,6-dimethyl-4-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]pyridine?
The canonical SMILES for 2,6-dimethyl-4-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]pyridine is Cc1cc(Oc2cccc(B3OC(C)(C)C(C)(C)O3)c2)cc(C)n1.
What is the InChIKey of 2,6-dimethyl-4-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]pyridine?
The InChIKey is RAWVVMVLXVNNCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24BNO3/c1-13-10-17(11-14(2)21-13)22-16-9-7-8-15(12-16)20-23-18(3,4)19(5,6)24-20/h7-12H,1-6H3.
What are the key properties of 2,6-dimethyl-4-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]pyridine?
2,6-dimethyl-4-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]pyridine has a molecular weight of 325.22 g/mol, XLogP of 3.79, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]pyridine is sourced from PubChem (CID 164751136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).