2-fluoro-6-iodo-3-methylpyridine

C6H5FIN — CID 130895801

IUPAC2-fluoro-6-iodo-3-methylpyridine
SMILESCc1ccc(I)nc1F
InChIInChI=1S/C6H5FIN/c1-4-2-3-5(8)9-6(4)7/h2-3H,1H3
InChIKeyMYTXHEASDFJVAE-UHFFFAOYSA-N
MW237.01 g/mol
LogP2.13
Rot. Bonds

About 2-fluoro-6-iodo-3-methylpyridine

2-fluoro-6-iodo-3-methylpyridine (PubChem CID 130895801) has the molecular formula C6H5FIN and a molecular weight of 237.01 g/mol. Its IUPAC name is 2-fluoro-6-iodo-3-methylpyridine.

Molecular Properties

Compound Name2-fluoro-6-iodo-3-methylpyridine
PubChem CID130895801
Molecular FormulaC6H5FIN
Molecular Weight237.01 g/mol
Exact Mass236.95
IUPAC Name2-fluoro-6-iodo-3-methylpyridine
SMILESCc1ccc(I)nc1F
InChIInChI=1S/C6H5FIN/c1-4-2-3-5(8)9-6(4)7/h2-3H,1H3
InChIKeyMYTXHEASDFJVAE-UHFFFAOYSA-N
XLogP2.13
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.01
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-iodo-3-methylpyridine?
The IUPAC name of 2-fluoro-6-iodo-3-methylpyridine (CID 130895801) is 2-fluoro-6-iodo-3-methylpyridine.
What is the SMILES notation for 2-fluoro-6-iodo-3-methylpyridine?
The canonical SMILES for 2-fluoro-6-iodo-3-methylpyridine is Cc1ccc(I)nc1F.
What is the InChIKey of 2-fluoro-6-iodo-3-methylpyridine?
The InChIKey is MYTXHEASDFJVAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5FIN/c1-4-2-3-5(8)9-6(4)7/h2-3H,1H3.
What are the key properties of 2-fluoro-6-iodo-3-methylpyridine?
2-fluoro-6-iodo-3-methylpyridine has a molecular weight of 237.01 g/mol, XLogP of 2.13, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-iodo-3-methylpyridine is sourced from PubChem (CID 130895801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).