2-[phenyl-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]pyridine

C24H26BNO2 — CID 162495588

IUPAC2-[phenyl-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]pyridine
SMILESCC1(C)OB(c2cccc(C(c3ccccc3)c3ccccn3)c2)OC1(C)C
InChIInChI=1S/C24H26BNO2/c1-23(2)24(3,4)28-25(27-23)20-14-10-13-19(17-20)22(18-11-6-5-7-12-18)21-15-8-9-16-26-21/h5-17,22H,1-4H3
InChIKeyZLIVXZXVFUXXGE-UHFFFAOYSA-N
MW371.29 g/mol
LogP4.56
Rot. Bonds4

About 2-[phenyl-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]pyridine

2-[phenyl-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]pyridine (PubChem CID 162495588) has the molecular formula C24H26BNO2 and a molecular weight of 371.29 g/mol. Its IUPAC name is 2-[phenyl-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]pyridine.

Molecular Properties

Compound Name2-[phenyl-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]pyridine
PubChem CID162495588
Molecular FormulaC24H26BNO2
Molecular Weight371.29 g/mol
Exact Mass371.21
IUPAC Name2-[phenyl-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]pyridine
SMILESCC1(C)OB(c2cccc(C(c3ccccc3)c3ccccn3)c2)OC1(C)C
InChIInChI=1S/C24H26BNO2/c1-23(2)24(3,4)28-25(27-23)20-14-10-13-19(17-20)22(18-11-6-5-7-12-18)21-15-8-9-16-26-21/h5-17,22H,1-4H3
InChIKeyZLIVXZXVFUXXGE-UHFFFAOYSA-N
XLogP4.56
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.29
LogP ≤ 54.56
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

(S)-phenyl-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanol
CID 99773699
(2S)-2-amino-2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetic acid
CID 99774987
2-[phenyl(pyridin-2-yl)methyl]pyridine
CID 4110137
2-[3-[phenyl(pyridin-2-yl)methyl]phenyl]pyridine
CID 146224739
4,4,5,5-tetramethyl-2-[3-(10-phenylboranthren-5-yl)phenyl]-1,3,2-dioxaborolane
CID 156664622
N-[(1S)-1-pyridin-2-ylethyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide
CID 170903439
4-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyridine
CID 57416227
2-[(2-methylphenyl)-phenylmethyl]pyridine
CID 170986908
phenyl-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanamine
CID 174108740
1-methyl-6-[phenyl(pyridin-2-yl)methyl]indole
CID 175480884
2-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]pyridine
CID 151939850
2-(dipyridin-2-ylmethyl)pyridine
CID 10332212

Frequently Asked Questions

What is the IUPAC name of 2-[phenyl-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]pyridine?
The IUPAC name of 2-[phenyl-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]pyridine (CID 162495588) is 2-[phenyl-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]pyridine.
What is the SMILES notation for 2-[phenyl-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]pyridine?
The canonical SMILES for 2-[phenyl-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]pyridine is CC1(C)OB(c2cccc(C(c3ccccc3)c3ccccn3)c2)OC1(C)C.
What is the InChIKey of 2-[phenyl-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]pyridine?
The InChIKey is ZLIVXZXVFUXXGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26BNO2/c1-23(2)24(3,4)28-25(27-23)20-14-10-13-19(17-20)22(18-11-6-5-7-12-18)21-15-8-9-16-26-21/h5-17,22H,1-4H3.
What are the key properties of 2-[phenyl-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]pyridine?
2-[phenyl-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]pyridine has a molecular weight of 371.29 g/mol, XLogP of 4.56, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[phenyl-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]pyridine is sourced from PubChem (CID 162495588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).