6-methyl-4-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]pyridin-3-ol

C14H20BNO3 — CID 57416620

IUPAC6-methyl-4-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]pyridin-3-ol
SMILESCc1cc(/C=C/B2OC(C)(C)C(C)(C)O2)c(O)cn1
InChIInChI=1S/C14H20BNO3/c1-10-8-11(12(17)9-16-10)6-7-15-18-13(2,3)14(4,5)19-15/h6-9,17H,1-5H3/b7-6+
InChIKeyMANYVXQDJAEZID-VOTSOKGWSA-N
MW261.13 g/mol
LogP2.74
Rot. Bonds2

About 6-methyl-4-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]pyridin-3-ol

6-methyl-4-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]pyridin-3-ol (PubChem CID 57416620) has the molecular formula C14H20BNO3 and a molecular weight of 261.13 g/mol. Its IUPAC name is 6-methyl-4-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]pyridin-3-ol.

Molecular Properties

Compound Name6-methyl-4-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]pyridin-3-ol
PubChem CID57416620
Molecular FormulaC14H20BNO3
Molecular Weight261.13 g/mol
Exact Mass261.15
IUPAC Name6-methyl-4-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]pyridin-3-ol
SMILESCc1cc(/C=C/B2OC(C)(C)C(C)(C)O2)c(O)cn1
InChIInChI=1S/C14H20BNO3/c1-10-8-11(12(17)9-16-10)6-7-15-18-13(2,3)14(4,5)19-15/h6-9,17H,1-5H3/b7-6+
InChIKeyMANYVXQDJAEZID-VOTSOKGWSA-N
XLogP2.74
TPSA51.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.13
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-fluoro-2,6-dimethyl-4-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]pyridine
CID 74888595
4-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]benzene-1,3-diol
CID 165468199
2-chloro-5-methyl-3-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]pyridine
CID 74888593
2-methoxy-5-methyl-3-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]pyridine
CID 74890789
2,3-dimethyl-4-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]pyridine
CID 57416557
4-methyl-3-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]pyridine
CID 57416520
2-chloro-4-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]pyridin-3-ol
CID 74788982
2,5-dimethyl-3-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]-1H-pyrrole
CID 165468769
5,6-dimethyl-3-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]pyridin-2-amine
CID 57416764
4,4,5,5-tetramethyl-2-[(E)-2-(2-methylphenyl)ethenyl]-1,3,2-dioxaborolane
CID 23088099
2-fluoro-6-methyl-5-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]pyridin-3-amine
CID 74789526
5-methyl-6-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]pyridin-3-amine
CID 57416573

Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]pyridin-3-ol?
The IUPAC name of 6-methyl-4-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]pyridin-3-ol (CID 57416620) is 6-methyl-4-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]pyridin-3-ol.
What is the SMILES notation for 6-methyl-4-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]pyridin-3-ol?
The canonical SMILES for 6-methyl-4-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]pyridin-3-ol is Cc1cc(/C=C/B2OC(C)(C)C(C)(C)O2)c(O)cn1.
What is the InChIKey of 6-methyl-4-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]pyridin-3-ol?
The InChIKey is MANYVXQDJAEZID-VOTSOKGWSA-N. The full InChI is InChI=1S/C14H20BNO3/c1-10-8-11(12(17)9-16-10)6-7-15-18-13(2,3)14(4,5)19-15/h6-9,17H,1-5H3/b7-6+.
What are the key properties of 6-methyl-4-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]pyridin-3-ol?
6-methyl-4-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]pyridin-3-ol has a molecular weight of 261.13 g/mol, XLogP of 2.74, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]pyridin-3-ol is sourced from PubChem (CID 57416620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).