3-fluoro-2-[methyl(sulfino)amino]pyridine

C6H7FN2O2S — CID 174049092

IUPAC3-fluoro-2-[methyl(sulfino)amino]pyridine
SMILESCN(c1ncccc1F)S(=O)O
InChIInChI=1S/C6H7FN2O2S/c1-9(12(10)11)6-5(7)3-2-4-8-6/h2-4H,1H3,(H,10,11)
InChIKeyRHVUGQKINGEYKB-UHFFFAOYSA-N
MW190.20 g/mol
LogP0.79
Rot. Bonds2

About 3-fluoro-2-[methyl(sulfino)amino]pyridine

3-fluoro-2-[methyl(sulfino)amino]pyridine (PubChem CID 174049092) has the molecular formula C6H7FN2O2S and a molecular weight of 190.20 g/mol. Its IUPAC name is 3-fluoro-2-[methyl(sulfino)amino]pyridine.

Molecular Properties

Compound Name3-fluoro-2-[methyl(sulfino)amino]pyridine
PubChem CID174049092
Molecular FormulaC6H7FN2O2S
Molecular Weight190.20 g/mol
Exact Mass190.02
IUPAC Name3-fluoro-2-[methyl(sulfino)amino]pyridine
SMILESCN(c1ncccc1F)S(=O)O
InChIInChI=1S/C6H7FN2O2S/c1-9(12(10)11)6-5(7)3-2-4-8-6/h2-4H,1H3,(H,10,11)
InChIKeyRHVUGQKINGEYKB-UHFFFAOYSA-N
XLogP0.79
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-[methyl(sulfino)amino]pyridine?
The IUPAC name of 3-fluoro-2-[methyl(sulfino)amino]pyridine (CID 174049092) is 3-fluoro-2-[methyl(sulfino)amino]pyridine.
What is the SMILES notation for 3-fluoro-2-[methyl(sulfino)amino]pyridine?
The canonical SMILES for 3-fluoro-2-[methyl(sulfino)amino]pyridine is CN(c1ncccc1F)S(=O)O.
What is the InChIKey of 3-fluoro-2-[methyl(sulfino)amino]pyridine?
The InChIKey is RHVUGQKINGEYKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7FN2O2S/c1-9(12(10)11)6-5(7)3-2-4-8-6/h2-4H,1H3,(H,10,11).
What are the key properties of 3-fluoro-2-[methyl(sulfino)amino]pyridine?
3-fluoro-2-[methyl(sulfino)amino]pyridine has a molecular weight of 190.20 g/mol, XLogP of 0.79, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-[methyl(sulfino)amino]pyridine is sourced from PubChem (CID 174049092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).