CID 67423994

C16H10BN4O2 — CID 67423994

IUPAC—
SMILES[B](Oc1ccc2nccnc2c1)Oc1ccc2nccnc2c1
InChIInChI=1S/C16H10BN4O2/c1-3-13-15(20-7-5-18-13)9-11(1)22-17-23-12-2-4-14-16(10-12)21-8-6-19-14/h1-10H
InChIKeyQUZKMZLCRBHDDZ-UHFFFAOYSA-N
MW301.09 g/mol
LogP2.57
Rot. Bonds4

About CID 67423994

CID 67423994 (PubChem CID 67423994) has the molecular formula C16H10BN4O2 and a molecular weight of 301.09 g/mol.

Molecular Properties

Compound NameCID 67423994
PubChem CID67423994
Molecular FormulaC16H10BN4O2
Molecular Weight301.09 g/mol
Exact Mass301.09
IUPAC Name—
SMILES[B](Oc1ccc2nccnc2c1)Oc1ccc2nccnc2c1
InChIInChI=1S/C16H10BN4O2/c1-3-13-15(20-7-5-18-13)9-11(1)22-17-23-12-2-4-14-16(10-12)21-8-6-19-14/h1-10H
InChIKeyQUZKMZLCRBHDDZ-UHFFFAOYSA-N
XLogP2.57
TPSA70.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.09
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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 67423994?
The IUPAC name of CID 67423994 (CID 67423994) is not available.
What is the SMILES notation for CID 67423994?
The canonical SMILES for CID 67423994 is [B](Oc1ccc2nccnc2c1)Oc1ccc2nccnc2c1.
What is the InChIKey of CID 67423994?
The InChIKey is QUZKMZLCRBHDDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10BN4O2/c1-3-13-15(20-7-5-18-13)9-11(1)22-17-23-12-2-4-14-16(10-12)21-8-6-19-14/h1-10H.
What are the key properties of CID 67423994?
CID 67423994 has a molecular weight of 301.09 g/mol, XLogP of 2.57, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 67423994 is sourced from PubChem (CID 67423994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).