CID 159769394

C5H5BF2NO2 — CID 159769394

IUPAC—
SMILESFc1cccc(F)n1.O[B]O
InChIInChI=1S/C5H3F2N.BH2O2/c6-4-2-1-3-5(7)8-4;2-1-3/h1-3H;2-3H
InChIKeyWYRGKTUXGUEEEH-UHFFFAOYSA-N
MW159.91 g/mol
LogP-0.14
Rot. Bonds

About CID 159769394

CID 159769394 (PubChem CID 159769394) has the molecular formula C5H5BF2NO2 and a molecular weight of 159.91 g/mol.

Molecular Properties

Compound NameCID 159769394
PubChem CID159769394
Molecular FormulaC5H5BF2NO2
Molecular Weight159.91 g/mol
Exact Mass160.04
IUPAC Name—
SMILESFc1cccc(F)n1.O[B]O
InChIInChI=1S/C5H3F2N.BH2O2/c6-4-2-1-3-5(7)8-4;2-1-3/h1-3H;2-3H
InChIKeyWYRGKTUXGUEEEH-UHFFFAOYSA-N
XLogP-0.14
TPSA53.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.91
LogP ≤ 5-0.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze CID 159769394 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,6-difluoropyridine;hydrate
CID 56972369
(6-fluoro-2-pyridinyl)oxidanium
CID 145432646
2,3-difluoropyridine;2,6-difluoropyridine
CID 174955945
2-(6-fluoro-2-pyridinyl)phenol
CID 136595488
2-fluoro-6-propan-2-ylsulfanylpyridine
CID 61229581
CID 175309545
CID 175309545
(6-fluoro-2-pyridinyl) thiohypochlorite
CID 123544589
N-(6-fluoro-2-pyridinyl)methanimine
CID 166776760
2-fluoro-6-(2-fluoropropan-2-yl)pyridine
CID 155978148
6-fluoro-N-methylpyridin-2-amine;dihydrochloride
CID 175106900
(4-chlorophenyl)methanamine;2,6-difluoropyridine;methane
CID 160889708
1-(6-fluoro-2-pyridinyl)pyrrolidine-3,4-diol
CID 106670856

Frequently Asked Questions

What is the IUPAC name of CID 159769394?
The IUPAC name of CID 159769394 (CID 159769394) is not available.
What is the SMILES notation for CID 159769394?
The canonical SMILES for CID 159769394 is Fc1cccc(F)n1.O[B]O.
What is the InChIKey of CID 159769394?
The InChIKey is WYRGKTUXGUEEEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3F2N.BH2O2/c6-4-2-1-3-5(7)8-4;2-1-3/h1-3H;2-3H.
What are the key properties of CID 159769394?
CID 159769394 has a molecular weight of 159.91 g/mol, XLogP of -0.14, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 159769394 is sourced from PubChem (CID 159769394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).