5-chloro-2-propyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine

C14H21BClNO2 — CID 134126551

IUPAC5-chloro-2-propyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
SMILESCCCc1cc(B2OC(C)(C)C(C)(C)O2)c(Cl)cn1
InChIInChI=1S/C14H21BClNO2/c1-6-7-10-8-11(12(16)9-17-10)15-18-13(2,3)14(4,5)19-15/h8-9H,6-7H2,1-5H3
InChIKeyQQNBVGXQARGLFY-UHFFFAOYSA-N
MW281.59 g/mol
LogP2.99
Rot. Bonds3

About 5-chloro-2-propyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine

5-chloro-2-propyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine (PubChem CID 134126551) has the molecular formula C14H21BClNO2 and a molecular weight of 281.59 g/mol. Its IUPAC name is 5-chloro-2-propyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine.

Molecular Properties

Compound Name5-chloro-2-propyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
PubChem CID134126551
Molecular FormulaC14H21BClNO2
Molecular Weight281.59 g/mol
Exact Mass281.14
IUPAC Name5-chloro-2-propyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
SMILESCCCc1cc(B2OC(C)(C)C(C)(C)O2)c(Cl)cn1
InChIInChI=1S/C14H21BClNO2/c1-6-7-10-8-11(12(16)9-17-10)15-18-13(2,3)14(4,5)19-15/h8-9H,6-7H2,1-5H3
InChIKeyQQNBVGXQARGLFY-UHFFFAOYSA-N
XLogP2.99
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.59
LogP ≤ 52.99
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 5-chloro-2-propyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine?
The IUPAC name of 5-chloro-2-propyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine (CID 134126551) is 5-chloro-2-propyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine.
What is the SMILES notation for 5-chloro-2-propyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine?
The canonical SMILES for 5-chloro-2-propyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine is CCCc1cc(B2OC(C)(C)C(C)(C)O2)c(Cl)cn1.
What is the InChIKey of 5-chloro-2-propyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine?
The InChIKey is QQNBVGXQARGLFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BClNO2/c1-6-7-10-8-11(12(16)9-17-10)15-18-13(2,3)14(4,5)19-15/h8-9H,6-7H2,1-5H3.
What are the key properties of 5-chloro-2-propyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine?
5-chloro-2-propyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine has a molecular weight of 281.59 g/mol, XLogP of 2.99, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-propyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine is sourced from PubChem (CID 134126551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).