2-fluoro-6-(1-methylimidazol-2-yl)sulfanylpyridine

C9H8FN3S — CID 61227631

IUPAC2-fluoro-6-(1-methylimidazol-2-yl)sulfanylpyridine
SMILESCn1ccnc1Sc1cccc(F)n1
InChIInChI=1S/C9H8FN3S/c1-13-6-5-11-9(13)14-8-4-2-3-7(10)12-8/h2-6H,1H3
InChIKeySDPKZKOOINXNHG-UHFFFAOYSA-N
MW209.25 g/mol
LogP2.11
Rot. Bonds2

About 2-fluoro-6-(1-methylimidazol-2-yl)sulfanylpyridine

2-fluoro-6-(1-methylimidazol-2-yl)sulfanylpyridine (PubChem CID 61227631) has the molecular formula C9H8FN3S and a molecular weight of 209.25 g/mol. Its IUPAC name is 2-fluoro-6-(1-methylimidazol-2-yl)sulfanylpyridine.

Molecular Properties

Compound Name2-fluoro-6-(1-methylimidazol-2-yl)sulfanylpyridine
PubChem CID61227631
Molecular FormulaC9H8FN3S
Molecular Weight209.25 g/mol
Exact Mass209.04
IUPAC Name2-fluoro-6-(1-methylimidazol-2-yl)sulfanylpyridine
SMILESCn1ccnc1Sc1cccc(F)n1
InChIInChI=1S/C9H8FN3S/c1-13-6-5-11-9(13)14-8-4-2-3-7(10)12-8/h2-6H,1H3
InChIKeySDPKZKOOINXNHG-UHFFFAOYSA-N
XLogP2.11
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-(1-methylimidazol-2-yl)sulfanylpyridine?
The IUPAC name of 2-fluoro-6-(1-methylimidazol-2-yl)sulfanylpyridine (CID 61227631) is 2-fluoro-6-(1-methylimidazol-2-yl)sulfanylpyridine.
What is the SMILES notation for 2-fluoro-6-(1-methylimidazol-2-yl)sulfanylpyridine?
The canonical SMILES for 2-fluoro-6-(1-methylimidazol-2-yl)sulfanylpyridine is Cn1ccnc1Sc1cccc(F)n1.
What is the InChIKey of 2-fluoro-6-(1-methylimidazol-2-yl)sulfanylpyridine?
The InChIKey is SDPKZKOOINXNHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8FN3S/c1-13-6-5-11-9(13)14-8-4-2-3-7(10)12-8/h2-6H,1H3.
What are the key properties of 2-fluoro-6-(1-methylimidazol-2-yl)sulfanylpyridine?
2-fluoro-6-(1-methylimidazol-2-yl)sulfanylpyridine has a molecular weight of 209.25 g/mol, XLogP of 2.11, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-(1-methylimidazol-2-yl)sulfanylpyridine is sourced from PubChem (CID 61227631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).