CID 161230503

C16H10BN2O2 — CID 161230503

IUPAC—
SMILESO=C1C=c2ccccc2=N1.O=C1C=c2ccccc2=N1.[B]
InChIInChI=1S/2C8H5NO.B/c2*10-8-5-6-3-1-2-4-7(6)9-8;/h2*1-5H;
InChIKeyUYRPDMDMVLMXCM-UHFFFAOYSA-N
MW273.08 g/mol
LogP-1.13
Rot. Bonds

About CID 161230503

CID 161230503 (PubChem CID 161230503) has the molecular formula C16H10BN2O2 and a molecular weight of 273.08 g/mol.

Molecular Properties

Compound NameCID 161230503
PubChem CID161230503
Molecular FormulaC16H10BN2O2
Molecular Weight273.08 g/mol
Exact Mass273.08
IUPAC Name—
SMILESO=C1C=c2ccccc2=N1.O=C1C=c2ccccc2=N1.[B]
InChIInChI=1S/2C8H5NO.B/c2*10-8-5-6-3-1-2-4-7(6)9-8;/h2*1-5H;
InChIKeyUYRPDMDMVLMXCM-UHFFFAOYSA-N
XLogP-1.13
TPSA58.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.08
LogP ≤ 5-1.13
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 161230503?
The IUPAC name of CID 161230503 (CID 161230503) is not available.
What is the SMILES notation for CID 161230503?
The canonical SMILES for CID 161230503 is O=C1C=c2ccccc2=N1.O=C1C=c2ccccc2=N1.[B].
What is the InChIKey of CID 161230503?
The InChIKey is UYRPDMDMVLMXCM-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H5NO.B/c2*10-8-5-6-3-1-2-4-7(6)9-8;/h2*1-5H;.
What are the key properties of CID 161230503?
CID 161230503 has a molecular weight of 273.08 g/mol, XLogP of -1.13, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 161230503 is sourced from PubChem (CID 161230503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).