CID 66974147

C14H6BF2N2O2 — CID 66974147

IUPAC—
SMILESN#Cc1ccc(O[B]Oc2ccc(C#N)c(F)c2)cc1F
InChIInChI=1S/C14H6BF2N2O2/c16-13-5-11(3-1-9(13)7-18)20-15-21-12-4-2-10(8-19)14(17)6-12/h1-6H
InChIKeyWJSZTKCRKZAYLO-UHFFFAOYSA-N
MW283.02 g/mol
LogP2.70
Rot. Bonds4

About CID 66974147

CID 66974147 (PubChem CID 66974147) has the molecular formula C14H6BF2N2O2 and a molecular weight of 283.02 g/mol.

Molecular Properties

Compound NameCID 66974147
PubChem CID66974147
Molecular FormulaC14H6BF2N2O2
Molecular Weight283.02 g/mol
Exact Mass283.05
IUPAC Name—
SMILESN#Cc1ccc(O[B]Oc2ccc(C#N)c(F)c2)cc1F
InChIInChI=1S/C14H6BF2N2O2/c16-13-5-11(3-1-9(13)7-18)20-15-21-12-4-2-10(8-19)14(17)6-12/h1-6H
InChIKeyWJSZTKCRKZAYLO-UHFFFAOYSA-N
XLogP2.70
TPSA66.04 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.02
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 66974147?
The IUPAC name of CID 66974147 (CID 66974147) is not available.
What is the SMILES notation for CID 66974147?
The canonical SMILES for CID 66974147 is N#Cc1ccc(O[B]Oc2ccc(C#N)c(F)c2)cc1F.
What is the InChIKey of CID 66974147?
The InChIKey is WJSZTKCRKZAYLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H6BF2N2O2/c16-13-5-11(3-1-9(13)7-18)20-15-21-12-4-2-10(8-19)14(17)6-12/h1-6H.
What are the key properties of CID 66974147?
CID 66974147 has a molecular weight of 283.02 g/mol, XLogP of 2.70, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 66974147 is sourced from PubChem (CID 66974147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).