CID 174925205

C19H19BFN2O — CID 174925205

IUPAC—
SMILESF.O=Cc1cccc2ccccc12.[B].c1cc[nH]c1.c1cc[nH]c1
InChIInChI=1S/C11H8O.2C4H5N.B.FH/c12-8-10-6-3-5-9-4-1-2-7-11(9)10;2*1-2-4-5-3-1;;/h1-8H;2*1-5H;;1H
InChIKeyXCBZGIZPEHTKQC-UHFFFAOYSA-N
MW321.18 g/mol
LogP4.45
Rot. Bonds1

About CID 174925205

CID 174925205 (PubChem CID 174925205) has the molecular formula C19H19BFN2O and a molecular weight of 321.18 g/mol.

Molecular Properties

Compound NameCID 174925205
PubChem CID174925205
Molecular FormulaC19H19BFN2O
Molecular Weight321.18 g/mol
Exact Mass321.16
IUPAC Name—
SMILESF.O=Cc1cccc2ccccc12.[B].c1cc[nH]c1.c1cc[nH]c1
InChIInChI=1S/C11H8O.2C4H5N.B.FH/c12-8-10-6-3-5-9-4-1-2-7-11(9)10;2*1-2-4-5-3-1;;/h1-8H;2*1-5H;;1H
InChIKeyXCBZGIZPEHTKQC-UHFFFAOYSA-N
XLogP4.45
TPSA48.65 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.18
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of CID 174925205?
The IUPAC name of CID 174925205 (CID 174925205) is not available.
What is the SMILES notation for CID 174925205?
The canonical SMILES for CID 174925205 is F.O=Cc1cccc2ccccc12.[B].c1cc[nH]c1.c1cc[nH]c1.
What is the InChIKey of CID 174925205?
The InChIKey is XCBZGIZPEHTKQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8O.2C4H5N.B.FH/c12-8-10-6-3-5-9-4-1-2-7-11(9)10;2*1-2-4-5-3-1;;/h1-8H;2*1-5H;;1H.
What are the key properties of CID 174925205?
CID 174925205 has a molecular weight of 321.18 g/mol, XLogP of 4.45, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174925205 is sourced from PubChem (CID 174925205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).