CID 57297707

C16H11BN2 — CID 57297707

IUPAC—
SMILES[B]c1ccc(-c2n[nH]c3c2Cc2ccccc2-3)cc1
InChIInChI=1S/C16H11BN2/c17-12-7-5-10(6-8-12)15-14-9-11-3-1-2-4-13(11)16(14)19-18-15/h1-8H,9H2,(H,18,19)
InChIKeyBUFHBPXSNPIJHJ-UHFFFAOYSA-N
MW242.09 g/mol
LogP2.44
Rot. Bonds1

About CID 57297707

CID 57297707 (PubChem CID 57297707) has the molecular formula C16H11BN2 and a molecular weight of 242.09 g/mol.

Molecular Properties

Compound NameCID 57297707
PubChem CID57297707
Molecular FormulaC16H11BN2
Molecular Weight242.09 g/mol
Exact Mass242.10
IUPAC Name—
SMILES[B]c1ccc(-c2n[nH]c3c2Cc2ccccc2-3)cc1
InChIInChI=1S/C16H11BN2/c17-12-7-5-10(6-8-12)15-14-9-11-3-1-2-4-13(11)16(14)19-18-15/h1-8H,9H2,(H,18,19)
InChIKeyBUFHBPXSNPIJHJ-UHFFFAOYSA-N
XLogP2.44
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.09
LogP ≤ 52.44
H-Bond Donors ≤ 51
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 57297707?
The IUPAC name of CID 57297707 (CID 57297707) is not available.
What is the SMILES notation for CID 57297707?
The canonical SMILES for CID 57297707 is [B]c1ccc(-c2n[nH]c3c2Cc2ccccc2-3)cc1.
What is the InChIKey of CID 57297707?
The InChIKey is BUFHBPXSNPIJHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11BN2/c17-12-7-5-10(6-8-12)15-14-9-11-3-1-2-4-13(11)16(14)19-18-15/h1-8H,9H2,(H,18,19).
What are the key properties of CID 57297707?
CID 57297707 has a molecular weight of 242.09 g/mol, XLogP of 2.44, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 57297707 is sourced from PubChem (CID 57297707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).