CID 171528510

C14H7B3F2N2O — CID 171528510

IUPAC—
SMILES[B]c1cc(F)c(CN2C(=O)c3cccnc3C2([B])[B])c(F)c1
InChIInChI=1S/C14H7B3F2N2O/c15-7-4-10(18)9(11(19)5-7)6-21-13(22)8-2-1-3-20-12(8)14(21,16)17/h1-5H,6H2
InChIKeyAXFQBXQAQNDGCB-UHFFFAOYSA-N
MW289.66 g/mol
LogP0.26
Rot. Bonds2

About CID 171528510

CID 171528510 (PubChem CID 171528510) has the molecular formula C14H7B3F2N2O and a molecular weight of 289.66 g/mol.

Molecular Properties

Compound NameCID 171528510
PubChem CID171528510
Molecular FormulaC14H7B3F2N2O
Molecular Weight289.66 g/mol
Exact Mass290.08
IUPAC Name—
SMILES[B]c1cc(F)c(CN2C(=O)c3cccnc3C2([B])[B])c(F)c1
InChIInChI=1S/C14H7B3F2N2O/c15-7-4-10(18)9(11(19)5-7)6-21-13(22)8-2-1-3-20-12(8)14(21,16)17/h1-5H,6H2
InChIKeyAXFQBXQAQNDGCB-UHFFFAOYSA-N
XLogP0.26
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.66
LogP ≤ 50.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze CID 171528510 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 171528510?
The IUPAC name of CID 171528510 (CID 171528510) is not available.
What is the SMILES notation for CID 171528510?
The canonical SMILES for CID 171528510 is [B]c1cc(F)c(CN2C(=O)c3cccnc3C2([B])[B])c(F)c1.
What is the InChIKey of CID 171528510?
The InChIKey is AXFQBXQAQNDGCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7B3F2N2O/c15-7-4-10(18)9(11(19)5-7)6-21-13(22)8-2-1-3-20-12(8)14(21,16)17/h1-5H,6H2.
What are the key properties of CID 171528510?
CID 171528510 has a molecular weight of 289.66 g/mol, XLogP of 0.26, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 171528510 is sourced from PubChem (CID 171528510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).