2-fluoro-4-iodo-2-methyl-1H-pyridine

C6H7FIN — CID 66673307

IUPAC2-fluoro-4-iodo-2-methyl-1H-pyridine
SMILESCC1(F)C=C(I)C=CN1
InChIInChI=1S/C6H7FIN/c1-6(7)4-5(8)2-3-9-6/h2-4,9H,1H3
InChIKeyRTDUMHJGLTYSTI-UHFFFAOYSA-N
MW239.03 g/mol
LogP2.11
Rot. Bonds

About 2-fluoro-4-iodo-2-methyl-1H-pyridine

2-fluoro-4-iodo-2-methyl-1H-pyridine (PubChem CID 66673307) has the molecular formula C6H7FIN and a molecular weight of 239.03 g/mol. Its IUPAC name is 2-fluoro-4-iodo-2-methyl-1H-pyridine.

Molecular Properties

Compound Name2-fluoro-4-iodo-2-methyl-1H-pyridine
PubChem CID66673307
Molecular FormulaC6H7FIN
Molecular Weight239.03 g/mol
Exact Mass238.96
IUPAC Name2-fluoro-4-iodo-2-methyl-1H-pyridine
SMILESCC1(F)C=C(I)C=CN1
InChIInChI=1S/C6H7FIN/c1-6(7)4-5(8)2-3-9-6/h2-4,9H,1H3
InChIKeyRTDUMHJGLTYSTI-UHFFFAOYSA-N
XLogP2.11
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.03
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-iodo-2-methyl-1H-pyridine?
The IUPAC name of 2-fluoro-4-iodo-2-methyl-1H-pyridine (CID 66673307) is 2-fluoro-4-iodo-2-methyl-1H-pyridine.
What is the SMILES notation for 2-fluoro-4-iodo-2-methyl-1H-pyridine?
The canonical SMILES for 2-fluoro-4-iodo-2-methyl-1H-pyridine is CC1(F)C=C(I)C=CN1.
What is the InChIKey of 2-fluoro-4-iodo-2-methyl-1H-pyridine?
The InChIKey is RTDUMHJGLTYSTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7FIN/c1-6(7)4-5(8)2-3-9-6/h2-4,9H,1H3.
What are the key properties of 2-fluoro-4-iodo-2-methyl-1H-pyridine?
2-fluoro-4-iodo-2-methyl-1H-pyridine has a molecular weight of 239.03 g/mol, XLogP of 2.11, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-iodo-2-methyl-1H-pyridine is sourced from PubChem (CID 66673307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).