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

C17H22BNO2 — CID 78224403

IUPAC3-phenyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-pyridine
SMILESCC1(C)OB(N2C=CC=C(c3ccccc3)C2)OC1(C)C
InChIInChI=1S/C17H22BNO2/c1-16(2)17(3,4)21-18(20-16)19-12-8-11-15(13-19)14-9-6-5-7-10-14/h5-12H,13H2,1-4H3
InChIKeyVYNKVZCJTDAOAZ-UHFFFAOYSA-N
MW283.18 g/mol
LogP3.49
Rot. Bonds2

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

3-phenyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-pyridine (PubChem CID 78224403) has the molecular formula C17H22BNO2 and a molecular weight of 283.18 g/mol. Its IUPAC name is 3-phenyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-pyridine.

Molecular Properties

Compound Name3-phenyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-pyridine
PubChem CID78224403
Molecular FormulaC17H22BNO2
Molecular Weight283.18 g/mol
Exact Mass283.17
IUPAC Name3-phenyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-pyridine
SMILESCC1(C)OB(N2C=CC=C(c3ccccc3)C2)OC1(C)C
InChIInChI=1S/C17H22BNO2/c1-16(2)17(3,4)21-18(20-16)19-12-8-11-15(13-19)14-9-6-5-7-10-14/h5-12H,13H2,1-4H3
InChIKeyVYNKVZCJTDAOAZ-UHFFFAOYSA-N
XLogP3.49
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.18
LogP ≤ 53.49
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-2H-pyridine-1-carboxamide
CID 91250158
4,4,5,5-tetramethyl-2-(2-phenyl-3H-inden-5-yl)-1,3,2-dioxaborolane
CID 159929264
methyl-diphenyl-[3-phenyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclobut-2-en-1-yl]silane
CID 134999569
1-cyclohexa-1,3-dien-1-yl-3-phenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-9H-carbazole
CID 123777717
4,4,5,5-tetramethyl-2-[3-[3-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]-1,3,2-dioxaborolane
CID 123477261
4,4,5,5-tetramethyl-2-[3-(4-phenylnaphthalen-1-yl)phenyl]-1,3,2-dioxaborolane
CID 162429693
5-methoxy-5-methyl-1-phenylcyclohexa-1,3-diene
CID 150430637
2-[3,5-bis(3,5-diphenylphenyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 140797005
1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydroquinolin-2-one
CID 89445245
(3S)-3-phenyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopentan-1-one
CID 135062360
4,4,5,5-tetramethyl-2-[3-(2-phenylphenyl)phenyl]-1,3,2-dioxaborolane
CID 142728939
1-methyl-5-phenylcyclohexa-2,4-diene-1-carboxylic acid
CID 70699977

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-pyridine?
The IUPAC name of 3-phenyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-pyridine (CID 78224403) is 3-phenyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-pyridine.
What is the SMILES notation for 3-phenyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-pyridine?
The canonical SMILES for 3-phenyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-pyridine is CC1(C)OB(N2C=CC=C(c3ccccc3)C2)OC1(C)C.
What is the InChIKey of 3-phenyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-pyridine?
The InChIKey is VYNKVZCJTDAOAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22BNO2/c1-16(2)17(3,4)21-18(20-16)19-12-8-11-15(13-19)14-9-6-5-7-10-14/h5-12H,13H2,1-4H3.
What are the key properties of 3-phenyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-pyridine?
3-phenyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-pyridine has a molecular weight of 283.18 g/mol, XLogP of 3.49, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-pyridine is sourced from PubChem (CID 78224403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).