2-fluoro-5-methyliodanuidylpyridine

C6H6FIN- — CID 147145714

IUPAC2-fluoro-5-methyliodanuidylpyridine
SMILESC[I-]c1ccc(F)nc1
InChIInChI=1S/C6H6FIN/c1-8-5-2-3-6(7)9-4-5/h2-4H,1H3/q-1
InChIKeyZKYOTCVZXDGVQR-UHFFFAOYSA-N
MW238.02 g/mol
LogP-1.89
Rot. Bonds1

About 2-fluoro-5-methyliodanuidylpyridine

2-fluoro-5-methyliodanuidylpyridine (PubChem CID 147145714) has the molecular formula C6H6FIN- and a molecular weight of 238.02 g/mol. Its IUPAC name is 2-fluoro-5-methyliodanuidylpyridine.

Molecular Properties

Compound Name2-fluoro-5-methyliodanuidylpyridine
PubChem CID147145714
Molecular FormulaC6H6FIN-
Molecular Weight238.02 g/mol
Exact Mass237.95
IUPAC Name2-fluoro-5-methyliodanuidylpyridine
SMILESC[I-]c1ccc(F)nc1
InChIInChI=1S/C6H6FIN/c1-8-5-2-3-6(7)9-4-5/h2-4H,1H3/q-1
InChIKeyZKYOTCVZXDGVQR-UHFFFAOYSA-N
XLogP-1.89
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.02
LogP ≤ 5-1.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-fluoro-5-methyliodanuidylpyridine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-methyliodanuidylpyridine?
The IUPAC name of 2-fluoro-5-methyliodanuidylpyridine (CID 147145714) is 2-fluoro-5-methyliodanuidylpyridine.
What is the SMILES notation for 2-fluoro-5-methyliodanuidylpyridine?
The canonical SMILES for 2-fluoro-5-methyliodanuidylpyridine is C[I-]c1ccc(F)nc1.
What is the InChIKey of 2-fluoro-5-methyliodanuidylpyridine?
The InChIKey is ZKYOTCVZXDGVQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6FIN/c1-8-5-2-3-6(7)9-4-5/h2-4H,1H3/q-1.
What are the key properties of 2-fluoro-5-methyliodanuidylpyridine?
2-fluoro-5-methyliodanuidylpyridine has a molecular weight of 238.02 g/mol, XLogP of -1.89, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-methyliodanuidylpyridine is sourced from PubChem (CID 147145714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).