CID 174027095

C5HB4N — CID 174027095

IUPAC—
SMILES[B]c1cc([B])c([B])c([B])n1
InChIInChI=1S/C5HB4N/c6-2-1-3(7)10-5(9)4(2)8/h1H
InChIKeyWHNZREBORJQXEF-UHFFFAOYSA-N
MW118.32 g/mol
LogP-3.74
Rot. Bonds

About CID 174027095

CID 174027095 (PubChem CID 174027095) has the molecular formula C5HB4N and a molecular weight of 118.32 g/mol.

Molecular Properties

Compound NameCID 174027095
PubChem CID174027095
Molecular FormulaC5HB4N
Molecular Weight118.32 g/mol
Exact Mass119.05
IUPAC Name—
SMILES[B]c1cc([B])c([B])c([B])n1
InChIInChI=1S/C5HB4N/c6-2-1-3(7)10-5(9)4(2)8/h1H
InChIKeyWHNZREBORJQXEF-UHFFFAOYSA-N
XLogP-3.74
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.32
LogP ≤ 5-3.74
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 174027095?
The IUPAC name of CID 174027095 (CID 174027095) is not available.
What is the SMILES notation for CID 174027095?
The canonical SMILES for CID 174027095 is [B]c1cc([B])c([B])c([B])n1.
What is the InChIKey of CID 174027095?
The InChIKey is WHNZREBORJQXEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5HB4N/c6-2-1-3(7)10-5(9)4(2)8/h1H.
What are the key properties of CID 174027095?
CID 174027095 has a molecular weight of 118.32 g/mol, XLogP of -3.74, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174027095 is sourced from PubChem (CID 174027095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).