CID 89303073

C15H12BN7 — CID 89303073

IUPAC—
SMILES[B]N(C)c1nccc(-c2c3cccnc3n3c(N)nccc23)n1
InChIInChI=1S/C15H12BN7/c1-22(16)15-20-7-4-10(21-15)12-9-3-2-6-18-13(9)23-11(12)5-8-19-14(23)17/h2-8H,1H3,(H2,17,19)
InChIKeyRSNXCHSRKBOGDT-UHFFFAOYSA-N
MW301.12 g/mol
LogP1.44
Rot. Bonds2

About CID 89303073

CID 89303073 (PubChem CID 89303073) has the molecular formula C15H12BN7 and a molecular weight of 301.12 g/mol.

Molecular Properties

Compound NameCID 89303073
PubChem CID89303073
Molecular FormulaC15H12BN7
Molecular Weight301.12 g/mol
Exact Mass301.12
IUPAC Name—
SMILES[B]N(C)c1nccc(-c2c3cccnc3n3c(N)nccc23)n1
InChIInChI=1S/C15H12BN7/c1-22(16)15-20-7-4-10(21-15)12-9-3-2-6-18-13(9)23-11(12)5-8-19-14(23)17/h2-8H,1H3,(H2,17,19)
InChIKeyRSNXCHSRKBOGDT-UHFFFAOYSA-N
XLogP1.44
TPSA85.23 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.12
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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 89303073?
The IUPAC name of CID 89303073 (CID 89303073) is not available.
What is the SMILES notation for CID 89303073?
The canonical SMILES for CID 89303073 is [B]N(C)c1nccc(-c2c3cccnc3n3c(N)nccc23)n1.
What is the InChIKey of CID 89303073?
The InChIKey is RSNXCHSRKBOGDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BN7/c1-22(16)15-20-7-4-10(21-15)12-9-3-2-6-18-13(9)23-11(12)5-8-19-14(23)17/h2-8H,1H3,(H2,17,19).
What are the key properties of CID 89303073?
CID 89303073 has a molecular weight of 301.12 g/mol, XLogP of 1.44, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for CID 89303073 is sourced from PubChem (CID 89303073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).