CID 169252220

C10H7BN2 — CID 169252220

IUPAC—
SMILES[B]c1ccc2nc(C=C)cnc2c1
InChIInChI=1S/C10H7BN2/c1-2-8-6-12-10-5-7(11)3-4-9(10)13-8/h2-6H,1H2
InChIKeyFNRPCFXWROWMNU-UHFFFAOYSA-N
MW165.99 g/mol
LogP1.07
Rot. Bonds1

About CID 169252220

CID 169252220 (PubChem CID 169252220) has the molecular formula C10H7BN2 and a molecular weight of 165.99 g/mol.

Molecular Properties

Compound NameCID 169252220
PubChem CID169252220
Molecular FormulaC10H7BN2
Molecular Weight165.99 g/mol
Exact Mass166.07
IUPAC Name—
SMILES[B]c1ccc2nc(C=C)cnc2c1
InChIInChI=1S/C10H7BN2/c1-2-8-6-12-10-5-7(11)3-4-9(10)13-8/h2-6H,1H2
InChIKeyFNRPCFXWROWMNU-UHFFFAOYSA-N
XLogP1.07
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.99
LogP ≤ 51.07
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 169252220?
The IUPAC name of CID 169252220 (CID 169252220) is not available.
What is the SMILES notation for CID 169252220?
The canonical SMILES for CID 169252220 is [B]c1ccc2nc(C=C)cnc2c1.
What is the InChIKey of CID 169252220?
The InChIKey is FNRPCFXWROWMNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BN2/c1-2-8-6-12-10-5-7(11)3-4-9(10)13-8/h2-6H,1H2.
What are the key properties of CID 169252220?
CID 169252220 has a molecular weight of 165.99 g/mol, XLogP of 1.07, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 169252220 is sourced from PubChem (CID 169252220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).