5-fluoro-2-(4-iodo-3-methylpyrazol-1-yl)pyridine

C9H7FIN3 — CID 130223138

IUPAC5-fluoro-2-(4-iodo-3-methylpyrazol-1-yl)pyridine
SMILESCc1nn(-c2ccc(F)cn2)cc1I
InChIInChI=1S/C9H7FIN3/c1-6-8(11)5-14(13-6)9-3-2-7(10)4-12-9/h2-5H,1H3
InChIKeyZGPLXXOWTXONMW-UHFFFAOYSA-N
MW303.08 g/mol
LogP2.32
Rot. Bonds1

About 5-fluoro-2-(4-iodo-3-methylpyrazol-1-yl)pyridine

5-fluoro-2-(4-iodo-3-methylpyrazol-1-yl)pyridine (PubChem CID 130223138) has the molecular formula C9H7FIN3 and a molecular weight of 303.08 g/mol. Its IUPAC name is 5-fluoro-2-(4-iodo-3-methylpyrazol-1-yl)pyridine.

Molecular Properties

Compound Name5-fluoro-2-(4-iodo-3-methylpyrazol-1-yl)pyridine
PubChem CID130223138
Molecular FormulaC9H7FIN3
Molecular Weight303.08 g/mol
Exact Mass302.97
IUPAC Name5-fluoro-2-(4-iodo-3-methylpyrazol-1-yl)pyridine
SMILESCc1nn(-c2ccc(F)cn2)cc1I
InChIInChI=1S/C9H7FIN3/c1-6-8(11)5-14(13-6)9-3-2-7(10)4-12-9/h2-5H,1H3
InChIKeyZGPLXXOWTXONMW-UHFFFAOYSA-N
XLogP2.32
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.08
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-(4-iodo-3-methylpyrazol-1-yl)pyridine?
The IUPAC name of 5-fluoro-2-(4-iodo-3-methylpyrazol-1-yl)pyridine (CID 130223138) is 5-fluoro-2-(4-iodo-3-methylpyrazol-1-yl)pyridine.
What is the SMILES notation for 5-fluoro-2-(4-iodo-3-methylpyrazol-1-yl)pyridine?
The canonical SMILES for 5-fluoro-2-(4-iodo-3-methylpyrazol-1-yl)pyridine is Cc1nn(-c2ccc(F)cn2)cc1I.
What is the InChIKey of 5-fluoro-2-(4-iodo-3-methylpyrazol-1-yl)pyridine?
The InChIKey is ZGPLXXOWTXONMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7FIN3/c1-6-8(11)5-14(13-6)9-3-2-7(10)4-12-9/h2-5H,1H3.
What are the key properties of 5-fluoro-2-(4-iodo-3-methylpyrazol-1-yl)pyridine?
5-fluoro-2-(4-iodo-3-methylpyrazol-1-yl)pyridine has a molecular weight of 303.08 g/mol, XLogP of 2.32, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-(4-iodo-3-methylpyrazol-1-yl)pyridine is sourced from PubChem (CID 130223138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).