diethyl(pyridin-3-yl)borane

C9H14BN — CID 642851

IUPACdiethyl(pyridin-3-yl)borane
SMILESCCB(CC)c1cccnc1
InChIInChI=1S/C9H14BN/c1-3-10(4-2)9-6-5-7-11-8-9/h5-8H,3-4H2,1-2H3
InChIKeyOJKBCQOJVMAHDX-UHFFFAOYSA-N
MW147.03 g/mol
LogP1.82
Rot. Bonds3

About diethyl(pyridin-3-yl)borane

diethyl(pyridin-3-yl)borane (PubChem CID 642851) has the molecular formula C9H14BN and a molecular weight of 147.03 g/mol. Its IUPAC name is diethyl(pyridin-3-yl)borane.

Molecular Properties

Compound Namediethyl(pyridin-3-yl)borane
PubChem CID642851
Molecular FormulaC9H14BN
Molecular Weight147.03 g/mol
Exact Mass147.12
IUPAC Namediethyl(pyridin-3-yl)borane
SMILESCCB(CC)c1cccnc1
InChIInChI=1S/C9H14BN/c1-3-10(4-2)9-6-5-7-11-8-9/h5-8H,3-4H2,1-2H3
InChIKeyOJKBCQOJVMAHDX-UHFFFAOYSA-N
XLogP1.82
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.03
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 diethyl(pyridin-3-yl)borane?
The IUPAC name of diethyl(pyridin-3-yl)borane (CID 642851) is diethyl(pyridin-3-yl)borane.
What is the SMILES notation for diethyl(pyridin-3-yl)borane?
The canonical SMILES for diethyl(pyridin-3-yl)borane is CCB(CC)c1cccnc1.
What is the InChIKey of diethyl(pyridin-3-yl)borane?
The InChIKey is OJKBCQOJVMAHDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14BN/c1-3-10(4-2)9-6-5-7-11-8-9/h5-8H,3-4H2,1-2H3.
What are the key properties of diethyl(pyridin-3-yl)borane?
diethyl(pyridin-3-yl)borane has a molecular weight of 147.03 g/mol, XLogP of 1.82, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl(pyridin-3-yl)borane is sourced from PubChem (CID 642851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).