2,3-Dihydro-1H-naphtho[1,8-de][1,3,2]diazaborinine

C10H8BN2 — CID 46868449

IUPAC—
SMILES[B]1Nc2cccc3cccc(c23)N1
InChIInChI=1S/C10H8BN2/c1-3-7-4-2-6-9-10(7)8(5-1)12-11-13-9/h1-6,12-13H
InChIKeyWFKIQDVBAUQIBH-UHFFFAOYSA-N
MW167.00 g/mol
LogP2.21
Rot. Bonds

About 2,3-Dihydro-1H-naphtho[1,8-de][1,3,2]diazaborinine

2,3-Dihydro-1H-naphtho[1,8-de][1,3,2]diazaborinine (PubChem CID 46868449) has the molecular formula C10H8BN2 and a molecular weight of 167.00 g/mol.

Molecular Properties

Compound Name2,3-Dihydro-1H-naphtho[1,8-de][1,3,2]diazaborinine
PubChem CID46868449
Molecular FormulaC10H8BN2
Molecular Weight167.00 g/mol
Exact Mass167.08
IUPAC Name—
SMILES[B]1Nc2cccc3cccc(c23)N1
InChIInChI=1S/C10H8BN2/c1-3-7-4-2-6-9-10(7)8(5-1)12-11-13-9/h1-6,12-13H
InChIKeyWFKIQDVBAUQIBH-UHFFFAOYSA-N
XLogP2.21
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.00
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 2,3-Dihydro-1H-naphtho[1,8-de][1,3,2]diazaborinine?
The IUPAC name of 2,3-Dihydro-1H-naphtho[1,8-de][1,3,2]diazaborinine (CID 46868449) is not available.
What is the SMILES notation for 2,3-Dihydro-1H-naphtho[1,8-de][1,3,2]diazaborinine?
The canonical SMILES for 2,3-Dihydro-1H-naphtho[1,8-de][1,3,2]diazaborinine is [B]1Nc2cccc3cccc(c23)N1.
What is the InChIKey of 2,3-Dihydro-1H-naphtho[1,8-de][1,3,2]diazaborinine?
The InChIKey is WFKIQDVBAUQIBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BN2/c1-3-7-4-2-6-9-10(7)8(5-1)12-11-13-9/h1-6,12-13H.
What are the key properties of 2,3-Dihydro-1H-naphtho[1,8-de][1,3,2]diazaborinine?
2,3-Dihydro-1H-naphtho[1,8-de][1,3,2]diazaborinine has a molecular weight of 167.00 g/mol, XLogP of 2.21, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-Dihydro-1H-naphtho[1,8-de][1,3,2]diazaborinine is sourced from PubChem (CID 46868449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).