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

C19H24BNO3 — CID 52988020

IUPAC2-(3-methoxyphenyl)-3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
SMILESCOc1cccc(-c2ncc(B3OC(C)(C)C(C)(C)O3)cc2C)c1
InChIInChI=1S/C19H24BNO3/c1-13-10-15(20-23-18(2,3)19(4,5)24-20)12-21-17(13)14-8-7-9-16(11-14)22-6/h7-12H,1-6H3
InChIKeyPNLMIDKGDYKUIX-UHFFFAOYSA-N
MW325.22 g/mol
LogP3.36
Rot. Bonds3

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

2-(3-methoxyphenyl)-3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine (PubChem CID 52988020) has the molecular formula C19H24BNO3 and a molecular weight of 325.22 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine.

Molecular Properties

Compound Name2-(3-methoxyphenyl)-3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
PubChem CID52988020
Molecular FormulaC19H24BNO3
Molecular Weight325.22 g/mol
Exact Mass325.18
IUPAC Name2-(3-methoxyphenyl)-3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
SMILESCOc1cccc(-c2ncc(B3OC(C)(C)C(C)(C)O3)cc2C)c1
InChIInChI=1S/C19H24BNO3/c1-13-10-15(20-23-18(2,3)19(4,5)24-20)12-21-17(13)14-8-7-9-16(11-14)22-6/h7-12H,1-6H3
InChIKeyPNLMIDKGDYKUIX-UHFFFAOYSA-N
XLogP3.36
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 ≤ 53.36
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

CID 89206680
CID 89206680
2-(3-methoxyphenyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine
CID 67265133
3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine
CID 53216772
2-(3-methoxy-4-methylphenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
CID 142438972
2,3,5,6-tetrakis(3-methoxyphenyl)pyrazine
CID 132941107
5-(3-methoxyphenyl)-2-methyl-1,3-oxazole
CID 67394978
2-(4-methoxy-3,5-dimethylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 11288475
2-[3-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 132508664
5-methoxy-2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzenesulfonamide
CID 142794534
N-(3-methoxypropyl)-3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine
CID 76850015
3-(3-methoxyphenyl)-6-methyl-1H-pyrazin-2-one
CID 125458438
2-[4-[2-(3-methoxyphenyl)sulfanylethoxy]phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 113249715

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)-3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine?
The IUPAC name of 2-(3-methoxyphenyl)-3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine (CID 52988020) is 2-(3-methoxyphenyl)-3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine.
What is the SMILES notation for 2-(3-methoxyphenyl)-3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine?
The canonical SMILES for 2-(3-methoxyphenyl)-3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine is COc1cccc(-c2ncc(B3OC(C)(C)C(C)(C)O3)cc2C)c1.
What is the InChIKey of 2-(3-methoxyphenyl)-3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine?
The InChIKey is PNLMIDKGDYKUIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24BNO3/c1-13-10-15(20-23-18(2,3)19(4,5)24-20)12-21-17(13)14-8-7-9-16(11-14)22-6/h7-12H,1-6H3.
What are the key properties of 2-(3-methoxyphenyl)-3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine?
2-(3-methoxyphenyl)-3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine has a molecular weight of 325.22 g/mol, XLogP of 3.36, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)-3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine is sourced from PubChem (CID 52988020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).