dichloro(ethyl)borane;pyridine

C7H10BCl2N — CID 134890657

IUPACdichloro(ethyl)borane;pyridine
SMILESCCB(Cl)Cl.c1ccncc1
InChIInChI=1S/C5H5N.C2H5BCl2/c1-2-4-6-5-3-1;1-2-3(4)5/h1-5H;2H2,1H3
InChIKeyAOSRXQRAYQZCDE-UHFFFAOYSA-N
MW189.88 g/mol
LogP3.05
Rot. Bonds1

About dichloro(ethyl)borane;pyridine

dichloro(ethyl)borane;pyridine (PubChem CID 134890657) has the molecular formula C7H10BCl2N and a molecular weight of 189.88 g/mol. Its IUPAC name is dichloro(ethyl)borane;pyridine.

Molecular Properties

Compound Namedichloro(ethyl)borane;pyridine
PubChem CID134890657
Molecular FormulaC7H10BCl2N
Molecular Weight189.88 g/mol
Exact Mass189.03
IUPAC Namedichloro(ethyl)borane;pyridine
SMILESCCB(Cl)Cl.c1ccncc1
InChIInChI=1S/C5H5N.C2H5BCl2/c1-2-4-6-5-3-1;1-2-3(4)5/h1-5H;2H2,1H3
InChIKeyAOSRXQRAYQZCDE-UHFFFAOYSA-N
XLogP3.05
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.88
LogP ≤ 53.05
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 dichloro(ethyl)borane;pyridine?
The IUPAC name of dichloro(ethyl)borane;pyridine (CID 134890657) is dichloro(ethyl)borane;pyridine.
What is the SMILES notation for dichloro(ethyl)borane;pyridine?
The canonical SMILES for dichloro(ethyl)borane;pyridine is CCB(Cl)Cl.c1ccncc1.
What is the InChIKey of dichloro(ethyl)borane;pyridine?
The InChIKey is AOSRXQRAYQZCDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N.C2H5BCl2/c1-2-4-6-5-3-1;1-2-3(4)5/h1-5H;2H2,1H3.
What are the key properties of dichloro(ethyl)borane;pyridine?
dichloro(ethyl)borane;pyridine has a molecular weight of 189.88 g/mol, XLogP of 3.05, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dichloro(ethyl)borane;pyridine is sourced from PubChem (CID 134890657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).