ethane;tripyridin-2-ylborane

C21H30BN3 — CID 145126052

IUPACethane;tripyridin-2-ylborane
SMILESCC.CC.CC.c1ccc(B(c2ccccn2)c2ccccn2)nc1
InChIInChI=1S/C15H12BN3.3C2H6/c1-4-10-17-13(7-1)16(14-8-2-5-11-18-14)15-9-3-6-12-19-15;3*1-2/h1-12H;3*1-2H3
InChIKeyQCTZSLIESWRZCM-UHFFFAOYSA-N
MW335.30 g/mol
LogP3.47
Rot. Bonds3

About ethane;tripyridin-2-ylborane

ethane;tripyridin-2-ylborane (PubChem CID 145126052) has the molecular formula C21H30BN3 and a molecular weight of 335.30 g/mol. Its IUPAC name is ethane;tripyridin-2-ylborane.

Molecular Properties

Compound Nameethane;tripyridin-2-ylborane
PubChem CID145126052
Molecular FormulaC21H30BN3
Molecular Weight335.30 g/mol
Exact Mass335.25
IUPAC Nameethane;tripyridin-2-ylborane
SMILESCC.CC.CC.c1ccc(B(c2ccccn2)c2ccccn2)nc1
InChIInChI=1S/C15H12BN3.3C2H6/c1-4-10-17-13(7-1)16(14-8-2-5-11-18-14)15-9-3-6-12-19-15;3*1-2/h1-12H;3*1-2H3
InChIKeyQCTZSLIESWRZCM-UHFFFAOYSA-N
XLogP3.47
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.30
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

cobalt;ethane;tris(2-pyridin-2-ylpyridine)
CID 161013986
ethane;2-fluoropyridine
CID 143559643
ethane;2-fluoropyridine;pyrimidine
CID 144757816
ethane;pyridin-2-ylmethanamine
CID 90791011
CID 174448743
CID 174448743
ethane;2-ethylpyridine
CID 91102000
trimethyl(pyridin-2-yl)azanium hydroxide
CID 139671759
ethane;2-methylpropane;2-propan-2-ylpyridine
CID 160963174
2-[(2R)-3-methylbutan-2-yl]pyridine
CID 26793118
ethane;methanol;quinoline
CID 90686502
2-tert-butylpyridine;ethane;methane
CID 143332153
ethane;2-ethylpyridine;methane
CID 142439308

Frequently Asked Questions

What is the IUPAC name of ethane;tripyridin-2-ylborane?
The IUPAC name of ethane;tripyridin-2-ylborane (CID 145126052) is ethane;tripyridin-2-ylborane.
What is the SMILES notation for ethane;tripyridin-2-ylborane?
The canonical SMILES for ethane;tripyridin-2-ylborane is CC.CC.CC.c1ccc(B(c2ccccn2)c2ccccn2)nc1.
What is the InChIKey of ethane;tripyridin-2-ylborane?
The InChIKey is QCTZSLIESWRZCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BN3.3C2H6/c1-4-10-17-13(7-1)16(14-8-2-5-11-18-14)15-9-3-6-12-19-15;3*1-2/h1-12H;3*1-2H3.
What are the key properties of ethane;tripyridin-2-ylborane?
ethane;tripyridin-2-ylborane has a molecular weight of 335.30 g/mol, XLogP of 3.47, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;tripyridin-2-ylborane is sourced from PubChem (CID 145126052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).