CID 70154137

C10H8BN2O2 — CID 70154137

IUPAC—
SMILESC[B]C1=C(N)C(=O)c2cccnc2C1=O
InChIInChI=1S/C10H8BN2O2/c1-11-6-7(12)9(14)5-3-2-4-13-8(5)10(6)15/h2-4H,12H2,1H3
InChIKeyYBCGDSADNDNXHD-UHFFFAOYSA-N
MW199.00 g/mol
LogP0.38
Rot. Bonds1

About CID 70154137

CID 70154137 (PubChem CID 70154137) has the molecular formula C10H8BN2O2 and a molecular weight of 199.00 g/mol.

Molecular Properties

Compound NameCID 70154137
PubChem CID70154137
Molecular FormulaC10H8BN2O2
Molecular Weight199.00 g/mol
Exact Mass199.07
IUPAC Name—
SMILESC[B]C1=C(N)C(=O)c2cccnc2C1=O
InChIInChI=1S/C10H8BN2O2/c1-11-6-7(12)9(14)5-3-2-4-13-8(5)10(6)15/h2-4H,12H2,1H3
InChIKeyYBCGDSADNDNXHD-UHFFFAOYSA-N
XLogP0.38
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.00
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 70154137?
The IUPAC name of CID 70154137 (CID 70154137) is not available.
What is the SMILES notation for CID 70154137?
The canonical SMILES for CID 70154137 is C[B]C1=C(N)C(=O)c2cccnc2C1=O.
What is the InChIKey of CID 70154137?
The InChIKey is YBCGDSADNDNXHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BN2O2/c1-11-6-7(12)9(14)5-3-2-4-13-8(5)10(6)15/h2-4H,12H2,1H3.
What are the key properties of CID 70154137?
CID 70154137 has a molecular weight of 199.00 g/mol, XLogP of 0.38, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 70154137 is sourced from PubChem (CID 70154137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).