2-chloro-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline

C15H17BClNO2 — CID 142510515

IUPAC2-chloro-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline
SMILESCC1(C)OB(c2ccc3ccc(Cl)nc3c2)OC1(C)C
InChIInChI=1S/C15H17BClNO2/c1-14(2)15(3,4)20-16(19-14)11-7-5-10-6-8-13(17)18-12(10)9-11/h5-9H,1-4H3
InChIKeyHKPKBKQVPOKSQM-UHFFFAOYSA-N
MW289.57 g/mol
LogP3.19
Rot. Bonds1

About 2-chloro-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline

2-chloro-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline (PubChem CID 142510515) has the molecular formula C15H17BClNO2 and a molecular weight of 289.57 g/mol. Its IUPAC name is 2-chloro-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline.

Molecular Properties

Compound Name2-chloro-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline
PubChem CID142510515
Molecular FormulaC15H17BClNO2
Molecular Weight289.57 g/mol
Exact Mass289.10
IUPAC Name2-chloro-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline
SMILESCC1(C)OB(c2ccc3ccc(Cl)nc3c2)OC1(C)C
InChIInChI=1S/C15H17BClNO2/c1-14(2)15(3,4)20-16(19-14)11-7-5-10-6-8-13(17)18-12(10)9-11/h5-9H,1-4H3
InChIKeyHKPKBKQVPOKSQM-UHFFFAOYSA-N
XLogP3.19
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.57
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline?
The IUPAC name of 2-chloro-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline (CID 142510515) is 2-chloro-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline.
What is the SMILES notation for 2-chloro-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline?
The canonical SMILES for 2-chloro-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline is CC1(C)OB(c2ccc3ccc(Cl)nc3c2)OC1(C)C.
What is the InChIKey of 2-chloro-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline?
The InChIKey is HKPKBKQVPOKSQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BClNO2/c1-14(2)15(3,4)20-16(19-14)11-7-5-10-6-8-13(17)18-12(10)9-11/h5-9H,1-4H3.
What are the key properties of 2-chloro-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline?
2-chloro-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline has a molecular weight of 289.57 g/mol, XLogP of 3.19, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline is sourced from PubChem (CID 142510515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).