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

C14H19BClNO2 — CID 58042381

IUPAC3-chloro-2-cyclopropyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
SMILESCC1(C)OB(c2cnc(C3CC3)c(Cl)c2)OC1(C)C
InChIInChI=1S/C14H19BClNO2/c1-13(2)14(3,4)19-15(18-13)10-7-11(16)12(17-8-10)9-5-6-9/h7-9H,5-6H2,1-4H3
InChIKeySDOGLYRGZRBFLX-UHFFFAOYSA-N
MW279.58 g/mol
LogP2.91
Rot. Bonds2

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

3-chloro-2-cyclopropyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine (PubChem CID 58042381) has the molecular formula C14H19BClNO2 and a molecular weight of 279.58 g/mol. Its IUPAC name is 3-chloro-2-cyclopropyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine.

Molecular Properties

Compound Name3-chloro-2-cyclopropyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
PubChem CID58042381
Molecular FormulaC14H19BClNO2
Molecular Weight279.58 g/mol
Exact Mass279.12
IUPAC Name3-chloro-2-cyclopropyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
SMILESCC1(C)OB(c2cnc(C3CC3)c(Cl)c2)OC1(C)C
InChIInChI=1S/C14H19BClNO2/c1-13(2)14(3,4)19-15(18-13)10-7-11(16)12(17-8-10)9-5-6-9/h7-9H,5-6H2,1-4H3
InChIKeySDOGLYRGZRBFLX-UHFFFAOYSA-N
XLogP2.91
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 ≤ 52.91
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-cyclopropyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine?
The IUPAC name of 3-chloro-2-cyclopropyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine (CID 58042381) is 3-chloro-2-cyclopropyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine.
What is the SMILES notation for 3-chloro-2-cyclopropyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine?
The canonical SMILES for 3-chloro-2-cyclopropyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine is CC1(C)OB(c2cnc(C3CC3)c(Cl)c2)OC1(C)C.
What is the InChIKey of 3-chloro-2-cyclopropyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine?
The InChIKey is SDOGLYRGZRBFLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BClNO2/c1-13(2)14(3,4)19-15(18-13)10-7-11(16)12(17-8-10)9-5-6-9/h7-9H,5-6H2,1-4H3.
What are the key properties of 3-chloro-2-cyclopropyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine?
3-chloro-2-cyclopropyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine has a molecular weight of 279.58 g/mol, XLogP of 2.91, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-cyclopropyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine is sourced from PubChem (CID 58042381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).