CID 69100719

C9H10BF2N2 — CID 69100719

IUPAC—
SMILESF.F.[B]1N2CC=CC2=Cc2cccn21
InChIInChI=1S/C9H8BN2.2FH/c1-3-8-7-9-4-2-6-12(9)10-11(8)5-1;;/h1-5,7H,6H2;2*1H
InChIKeyBLEDFNGHBMZZHA-UHFFFAOYSA-N
MW195.00 g/mol
LogP1.40
Rot. Bonds

About CID 69100719

CID 69100719 (PubChem CID 69100719) has the molecular formula C9H10BF2N2 and a molecular weight of 195.00 g/mol.

Molecular Properties

Compound NameCID 69100719
PubChem CID69100719
Molecular FormulaC9H10BF2N2
Molecular Weight195.00 g/mol
Exact Mass195.09
IUPAC Name—
SMILESF.F.[B]1N2CC=CC2=Cc2cccn21
InChIInChI=1S/C9H8BN2.2FH/c1-3-8-7-9-4-2-6-12(9)10-11(8)5-1;;/h1-5,7H,6H2;2*1H
InChIKeyBLEDFNGHBMZZHA-UHFFFAOYSA-N
XLogP1.40
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.00
LogP ≤ 51.40
H-Bond Donors ≤ 50
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 CID 69100719?
The IUPAC name of CID 69100719 (CID 69100719) is not available.
What is the SMILES notation for CID 69100719?
The canonical SMILES for CID 69100719 is F.F.[B]1N2CC=CC2=Cc2cccn21.
What is the InChIKey of CID 69100719?
The InChIKey is BLEDFNGHBMZZHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BN2.2FH/c1-3-8-7-9-4-2-6-12(9)10-11(8)5-1;;/h1-5,7H,6H2;2*1H.
What are the key properties of CID 69100719?
CID 69100719 has a molecular weight of 195.00 g/mol, XLogP of 1.40, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 69100719 is sourced from PubChem (CID 69100719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).