CID 88578905

C5H7BN2 — CID 88578905

IUPAC—
SMILES[B]c1cc(C)nn1C
InChIInChI=1S/C5H7BN2/c1-4-3-5(6)8(2)7-4/h3H,1-2H3
InChIKeyBRIAIUSKICFONX-UHFFFAOYSA-N
MW105.94 g/mol
LogP-0.48
Rot. Bonds

About CID 88578905

CID 88578905 (PubChem CID 88578905) has the molecular formula C5H7BN2 and a molecular weight of 105.94 g/mol.

Molecular Properties

Compound NameCID 88578905
PubChem CID88578905
Molecular FormulaC5H7BN2
Molecular Weight105.94 g/mol
Exact Mass106.07
IUPAC Name—
SMILES[B]c1cc(C)nn1C
InChIInChI=1S/C5H7BN2/c1-4-3-5(6)8(2)7-4/h3H,1-2H3
InChIKeyBRIAIUSKICFONX-UHFFFAOYSA-N
XLogP-0.48
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500105.94
LogP ≤ 5-0.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 88578905?
The IUPAC name of CID 88578905 (CID 88578905) is not available.
What is the SMILES notation for CID 88578905?
The canonical SMILES for CID 88578905 is [B]c1cc(C)nn1C.
What is the InChIKey of CID 88578905?
The InChIKey is BRIAIUSKICFONX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7BN2/c1-4-3-5(6)8(2)7-4/h3H,1-2H3.
What are the key properties of CID 88578905?
CID 88578905 has a molecular weight of 105.94 g/mol, XLogP of -0.48, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 88578905 is sourced from PubChem (CID 88578905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).