CID 139162556

C2H6BClN- — CID 139162556

IUPAC—
SMILESCN(C)[B-]Cl
InChIInChI=1S/C2H6BClN/c1-5(2)3-4/h1-2H3/q-1
InChIKeyURWWHMBWWDPDKO-UHFFFAOYSA-N
MW90.34 g/mol
LogP0.32
Rot. Bonds1

About CID 139162556

CID 139162556 (PubChem CID 139162556) has the molecular formula C2H6BClN- and a molecular weight of 90.34 g/mol.

Molecular Properties

Compound NameCID 139162556
PubChem CID139162556
Molecular FormulaC2H6BClN-
Molecular Weight90.34 g/mol
Exact Mass90.03
IUPAC Name—
SMILESCN(C)[B-]Cl
InChIInChI=1S/C2H6BClN/c1-5(2)3-4/h1-2H3/q-1
InChIKeyURWWHMBWWDPDKO-UHFFFAOYSA-N
XLogP0.32
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50090.34
LogP ≤ 50.32
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 CID 139162556?
The IUPAC name of CID 139162556 (CID 139162556) is not available.
What is the SMILES notation for CID 139162556?
The canonical SMILES for CID 139162556 is CN(C)[B-]Cl.
What is the InChIKey of CID 139162556?
The InChIKey is URWWHMBWWDPDKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6BClN/c1-5(2)3-4/h1-2H3/q-1.
What are the key properties of CID 139162556?
CID 139162556 has a molecular weight of 90.34 g/mol, XLogP of 0.32, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 139162556 is sourced from PubChem (CID 139162556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).