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

C14H19BClNO2 — CID 74889017

IUPAC3-chloro-2-methyl-6-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]pyridine
SMILESCc1nc(/C=C/B2OC(C)(C)C(C)(C)O2)ccc1Cl
InChIInChI=1S/C14H19BClNO2/c1-10-12(16)7-6-11(17-10)8-9-15-18-13(2,3)14(4,5)19-15/h6-9H,1-5H3/b9-8+
InChIKeyIALJAVVFMPDOHF-CMDGGOBGSA-N
MW279.58 g/mol
LogP3.69
Rot. Bonds2

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

3-chloro-2-methyl-6-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]pyridine (PubChem CID 74889017) has the molecular formula C14H19BClNO2 and a molecular weight of 279.58 g/mol. Its IUPAC name is 3-chloro-2-methyl-6-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]pyridine.

Molecular Properties

Compound Name3-chloro-2-methyl-6-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]pyridine
PubChem CID74889017
Molecular FormulaC14H19BClNO2
Molecular Weight279.58 g/mol
Exact Mass279.12
IUPAC Name3-chloro-2-methyl-6-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]pyridine
SMILESCc1nc(/C=C/B2OC(C)(C)C(C)(C)O2)ccc1Cl
InChIInChI=1S/C14H19BClNO2/c1-10-12(16)7-6-11(17-10)8-9-15-18-13(2,3)14(4,5)19-15/h6-9H,1-5H3/b9-8+
InChIKeyIALJAVVFMPDOHF-CMDGGOBGSA-N
XLogP3.69
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.58
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-methyl-6-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]pyridine?
The IUPAC name of 3-chloro-2-methyl-6-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]pyridine (CID 74889017) is 3-chloro-2-methyl-6-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]pyridine.
What is the SMILES notation for 3-chloro-2-methyl-6-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]pyridine?
The canonical SMILES for 3-chloro-2-methyl-6-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]pyridine is Cc1nc(/C=C/B2OC(C)(C)C(C)(C)O2)ccc1Cl.
What is the InChIKey of 3-chloro-2-methyl-6-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]pyridine?
The InChIKey is IALJAVVFMPDOHF-CMDGGOBGSA-N. The full InChI is InChI=1S/C14H19BClNO2/c1-10-12(16)7-6-11(17-10)8-9-15-18-13(2,3)14(4,5)19-15/h6-9H,1-5H3/b9-8+.
What are the key properties of 3-chloro-2-methyl-6-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]pyridine?
3-chloro-2-methyl-6-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]pyridine has a molecular weight of 279.58 g/mol, XLogP of 3.69, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-methyl-6-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]pyridine is sourced from PubChem (CID 74889017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).