[4-(6-methyl-2-pyridinyl)imidazol-1-yl] thiohypofluorite

C9H8FN3S — CID 166146377

IUPAC[4-(6-methyl-2-pyridinyl)imidazol-1-yl] thiohypofluorite
SMILESCc1cccc(-c2cn(SF)cn2)n1
InChIInChI=1S/C9H8FN3S/c1-7-3-2-4-8(12-7)9-5-13(14-10)6-11-9/h2-6H,1H3
InChIKeyWQCVLSQRMWFQFT-UHFFFAOYSA-N
MW209.25 g/mol
LogP2.63
Rot. Bonds2

About [4-(6-methyl-2-pyridinyl)imidazol-1-yl] thiohypofluorite

[4-(6-methyl-2-pyridinyl)imidazol-1-yl] thiohypofluorite (PubChem CID 166146377) has the molecular formula C9H8FN3S and a molecular weight of 209.25 g/mol. Its IUPAC name is [4-(6-methyl-2-pyridinyl)imidazol-1-yl] thiohypofluorite.

Molecular Properties

Compound Name[4-(6-methyl-2-pyridinyl)imidazol-1-yl] thiohypofluorite
PubChem CID166146377
Molecular FormulaC9H8FN3S
Molecular Weight209.25 g/mol
Exact Mass209.04
IUPAC Name[4-(6-methyl-2-pyridinyl)imidazol-1-yl] thiohypofluorite
SMILESCc1cccc(-c2cn(SF)cn2)n1
InChIInChI=1S/C9H8FN3S/c1-7-3-2-4-8(12-7)9-5-13(14-10)6-11-9/h2-6H,1H3
InChIKeyWQCVLSQRMWFQFT-UHFFFAOYSA-N
XLogP2.63
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 ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(6-methyl-2-pyridinyl)imidazol-1-yl] thiohypofluorite?
The IUPAC name of [4-(6-methyl-2-pyridinyl)imidazol-1-yl] thiohypofluorite (CID 166146377) is [4-(6-methyl-2-pyridinyl)imidazol-1-yl] thiohypofluorite.
What is the SMILES notation for [4-(6-methyl-2-pyridinyl)imidazol-1-yl] thiohypofluorite?
The canonical SMILES for [4-(6-methyl-2-pyridinyl)imidazol-1-yl] thiohypofluorite is Cc1cccc(-c2cn(SF)cn2)n1.
What is the InChIKey of [4-(6-methyl-2-pyridinyl)imidazol-1-yl] thiohypofluorite?
The InChIKey is WQCVLSQRMWFQFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8FN3S/c1-7-3-2-4-8(12-7)9-5-13(14-10)6-11-9/h2-6H,1H3.
What are the key properties of [4-(6-methyl-2-pyridinyl)imidazol-1-yl] thiohypofluorite?
[4-(6-methyl-2-pyridinyl)imidazol-1-yl] thiohypofluorite has a molecular weight of 209.25 g/mol, XLogP of 2.63, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(6-methyl-2-pyridinyl)imidazol-1-yl] thiohypofluorite is sourced from PubChem (CID 166146377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).