CID 89162366

C13H11BN4O2 — CID 89162366

IUPAC—
SMILES[B]c1cnc2c(c1)c(-c1cnco1)cn2C(=O)N(C)C
InChIInChI=1S/C13H11BN4O2/c1-17(2)13(19)18-6-10(11-5-15-7-20-11)9-3-8(14)4-16-12(9)18/h3-7H,1-2H3
InChIKeyZIFHTYVGMVGZRB-UHFFFAOYSA-N
MW266.07 g/mol
LogP1.01
Rot. Bonds1

About CID 89162366

CID 89162366 (PubChem CID 89162366) has the molecular formula C13H11BN4O2 and a molecular weight of 266.07 g/mol.

Molecular Properties

Compound NameCID 89162366
PubChem CID89162366
Molecular FormulaC13H11BN4O2
Molecular Weight266.07 g/mol
Exact Mass266.10
IUPAC Name—
SMILES[B]c1cnc2c(c1)c(-c1cnco1)cn2C(=O)N(C)C
InChIInChI=1S/C13H11BN4O2/c1-17(2)13(19)18-6-10(11-5-15-7-20-11)9-3-8(14)4-16-12(9)18/h3-7H,1-2H3
InChIKeyZIFHTYVGMVGZRB-UHFFFAOYSA-N
XLogP1.01
TPSA64.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.07
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 89162366?
The IUPAC name of CID 89162366 (CID 89162366) is not available.
What is the SMILES notation for CID 89162366?
The canonical SMILES for CID 89162366 is [B]c1cnc2c(c1)c(-c1cnco1)cn2C(=O)N(C)C.
What is the InChIKey of CID 89162366?
The InChIKey is ZIFHTYVGMVGZRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BN4O2/c1-17(2)13(19)18-6-10(11-5-15-7-20-11)9-3-8(14)4-16-12(9)18/h3-7H,1-2H3.
What are the key properties of CID 89162366?
CID 89162366 has a molecular weight of 266.07 g/mol, XLogP of 1.01, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 89162366 is sourced from PubChem (CID 89162366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).