CID 59474350

C10H14BN2Y-2 — CID 59474350

IUPAC—
SMILES[CH2-]Cc1[c-]nc(C[B]C)nc1CC.[Y]
InChIInChI=1S/C10H14BN2.Y/c1-4-8-7-12-10(6-11-3)13-9(8)5-2;/h1,4-6H2,2-3H3;/q-2;
InChIKeyMUBLCNQWHMLKRK-UHFFFAOYSA-N
MW261.95 g/mol
LogP1.47
Rot. Bonds4

About CID 59474350

CID 59474350 (PubChem CID 59474350) has the molecular formula C10H14BN2Y-2 and a molecular weight of 261.95 g/mol.

Molecular Properties

Compound NameCID 59474350
PubChem CID59474350
Molecular FormulaC10H14BN2Y-2
Molecular Weight261.95 g/mol
Exact Mass262.03
IUPAC Name—
SMILES[CH2-]Cc1[c-]nc(C[B]C)nc1CC.[Y]
InChIInChI=1S/C10H14BN2.Y/c1-4-8-7-12-10(6-11-3)13-9(8)5-2;/h1,4-6H2,2-3H3;/q-2;
InChIKeyMUBLCNQWHMLKRK-UHFFFAOYSA-N
XLogP1.47
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.95
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 59474350?
The IUPAC name of CID 59474350 (CID 59474350) is not available.
What is the SMILES notation for CID 59474350?
The canonical SMILES for CID 59474350 is [CH2-]Cc1[c-]nc(C[B]C)nc1CC.[Y].
What is the InChIKey of CID 59474350?
The InChIKey is MUBLCNQWHMLKRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BN2.Y/c1-4-8-7-12-10(6-11-3)13-9(8)5-2;/h1,4-6H2,2-3H3;/q-2;.
What are the key properties of CID 59474350?
CID 59474350 has a molecular weight of 261.95 g/mol, XLogP of 1.47, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59474350 is sourced from PubChem (CID 59474350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).