CID 88668554

C2H8BrN — CID 88668554

IUPAC—
SMILESCC.NBr
InChIInChI=1S/C2H6.BrH2N/c2*1-2/h1-2H3;2H2
InChIKeyICHIXSGLJGWCOT-UHFFFAOYSA-N
MW126.00 g/mol
LogP1.28
Rot. Bonds

About CID 88668554

CID 88668554 (PubChem CID 88668554) has the molecular formula C2H8BrN and a molecular weight of 126.00 g/mol.

Molecular Properties

Compound NameCID 88668554
PubChem CID88668554
Molecular FormulaC2H8BrN
Molecular Weight126.00 g/mol
Exact Mass124.98
IUPAC Name—
SMILESCC.NBr
InChIInChI=1S/C2H6.BrH2N/c2*1-2/h1-2H3;2H2
InChIKeyICHIXSGLJGWCOT-UHFFFAOYSA-N
XLogP1.28
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.00
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 88668554?
The IUPAC name of CID 88668554 (CID 88668554) is not available.
What is the SMILES notation for CID 88668554?
The canonical SMILES for CID 88668554 is CC.NBr.
What is the InChIKey of CID 88668554?
The InChIKey is ICHIXSGLJGWCOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6.BrH2N/c2*1-2/h1-2H3;2H2.
What are the key properties of CID 88668554?
CID 88668554 has a molecular weight of 126.00 g/mol, XLogP of 1.28, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 88668554 is sourced from PubChem (CID 88668554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).