CID 175088616

C15H13BNO2 — CID 175088616

IUPAC—
SMILESO[B]O.c1ccc(-c2cccc3ncccc23)cc1
InChIInChI=1S/C15H11N.BH2O2/c1-2-6-12(7-3-1)13-8-4-10-15-14(13)9-5-11-16-15;2-1-3/h1-11H;2-3H
InChIKeyHGYICCVCCBSWFF-UHFFFAOYSA-N
MW250.09 g/mol
LogP2.41
Rot. Bonds1

About CID 175088616

CID 175088616 (PubChem CID 175088616) has the molecular formula C15H13BNO2 and a molecular weight of 250.09 g/mol.

Molecular Properties

Compound NameCID 175088616
PubChem CID175088616
Molecular FormulaC15H13BNO2
Molecular Weight250.09 g/mol
Exact Mass250.10
IUPAC Name—
SMILESO[B]O.c1ccc(-c2cccc3ncccc23)cc1
InChIInChI=1S/C15H11N.BH2O2/c1-2-6-12(7-3-1)13-8-4-10-15-14(13)9-5-11-16-15;2-1-3/h1-11H;2-3H
InChIKeyHGYICCVCCBSWFF-UHFFFAOYSA-N
XLogP2.41
TPSA53.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.09
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 175088616?
The IUPAC name of CID 175088616 (CID 175088616) is not available.
What is the SMILES notation for CID 175088616?
The canonical SMILES for CID 175088616 is O[B]O.c1ccc(-c2cccc3ncccc23)cc1.
What is the InChIKey of CID 175088616?
The InChIKey is HGYICCVCCBSWFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N.BH2O2/c1-2-6-12(7-3-1)13-8-4-10-15-14(13)9-5-11-16-15;2-1-3/h1-11H;2-3H.
What are the key properties of CID 175088616?
CID 175088616 has a molecular weight of 250.09 g/mol, XLogP of 2.41, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 175088616 is sourced from PubChem (CID 175088616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).