CID 123410556

C7H7BN2 — CID 123410556

IUPAC—
SMILES[B]c1cnc(C=C)c(N)c1
InChIInChI=1S/C7H7BN2/c1-2-7-6(9)3-5(8)4-10-7/h2-4H,1,9H2
InChIKeyBEZRVHCIDNRLOF-UHFFFAOYSA-N
MW129.96 g/mol
LogP0.10
Rot. Bonds1

About CID 123410556

CID 123410556 (PubChem CID 123410556) has the molecular formula C7H7BN2 and a molecular weight of 129.96 g/mol.

Molecular Properties

Compound NameCID 123410556
PubChem CID123410556
Molecular FormulaC7H7BN2
Molecular Weight129.96 g/mol
Exact Mass130.07
IUPAC Name—
SMILES[B]c1cnc(C=C)c(N)c1
InChIInChI=1S/C7H7BN2/c1-2-7-6(9)3-5(8)4-10-7/h2-4H,1,9H2
InChIKeyBEZRVHCIDNRLOF-UHFFFAOYSA-N
XLogP0.10
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.96
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze CID 123410556 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of CID 123410556?
The IUPAC name of CID 123410556 (CID 123410556) is not available.
What is the SMILES notation for CID 123410556?
The canonical SMILES for CID 123410556 is [B]c1cnc(C=C)c(N)c1.
What is the InChIKey of CID 123410556?
The InChIKey is BEZRVHCIDNRLOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BN2/c1-2-7-6(9)3-5(8)4-10-7/h2-4H,1,9H2.
What are the key properties of CID 123410556?
CID 123410556 has a molecular weight of 129.96 g/mol, XLogP of 0.10, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 123410556 is sourced from PubChem (CID 123410556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).