5-fluoro-1-(2-methylpyrazol-3-yl)sulfonyl-3,6-dihydro-2H-pyridine

C9H12FN3O2S — CID 127884962

IUPAC5-fluoro-1-(2-methylpyrazol-3-yl)sulfonyl-3,6-dihydro-2H-pyridine
SMILESCn1nccc1S(=O)(=O)N1CCC=C(F)C1
InChIInChI=1S/C9H12FN3O2S/c1-12-9(4-5-11-12)16(14,15)13-6-2-3-8(10)7-13/h3-5H,2,6-7H2,1H3
InChIKeyKKTVRQHOEAEKEX-UHFFFAOYSA-N
MW245.28 g/mol
LogP0.67
Rot. Bonds2

About 5-fluoro-1-(2-methylpyrazol-3-yl)sulfonyl-3,6-dihydro-2H-pyridine

5-fluoro-1-(2-methylpyrazol-3-yl)sulfonyl-3,6-dihydro-2H-pyridine (PubChem CID 127884962) has the molecular formula C9H12FN3O2S and a molecular weight of 245.28 g/mol. Its IUPAC name is 5-fluoro-1-(2-methylpyrazol-3-yl)sulfonyl-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name5-fluoro-1-(2-methylpyrazol-3-yl)sulfonyl-3,6-dihydro-2H-pyridine
PubChem CID127884962
Molecular FormulaC9H12FN3O2S
Molecular Weight245.28 g/mol
Exact Mass245.06
IUPAC Name5-fluoro-1-(2-methylpyrazol-3-yl)sulfonyl-3,6-dihydro-2H-pyridine
SMILESCn1nccc1S(=O)(=O)N1CCC=C(F)C1
InChIInChI=1S/C9H12FN3O2S/c1-12-9(4-5-11-12)16(14,15)13-6-2-3-8(10)7-13/h3-5H,2,6-7H2,1H3
InChIKeyKKTVRQHOEAEKEX-UHFFFAOYSA-N
XLogP0.67
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 50.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-(2-methylpyrazol-3-yl)sulfonyl-3,6-dihydro-2H-pyridine?
The IUPAC name of 5-fluoro-1-(2-methylpyrazol-3-yl)sulfonyl-3,6-dihydro-2H-pyridine (CID 127884962) is 5-fluoro-1-(2-methylpyrazol-3-yl)sulfonyl-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 5-fluoro-1-(2-methylpyrazol-3-yl)sulfonyl-3,6-dihydro-2H-pyridine?
The canonical SMILES for 5-fluoro-1-(2-methylpyrazol-3-yl)sulfonyl-3,6-dihydro-2H-pyridine is Cn1nccc1S(=O)(=O)N1CCC=C(F)C1.
What is the InChIKey of 5-fluoro-1-(2-methylpyrazol-3-yl)sulfonyl-3,6-dihydro-2H-pyridine?
The InChIKey is KKTVRQHOEAEKEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FN3O2S/c1-12-9(4-5-11-12)16(14,15)13-6-2-3-8(10)7-13/h3-5H,2,6-7H2,1H3.
What are the key properties of 5-fluoro-1-(2-methylpyrazol-3-yl)sulfonyl-3,6-dihydro-2H-pyridine?
5-fluoro-1-(2-methylpyrazol-3-yl)sulfonyl-3,6-dihydro-2H-pyridine has a molecular weight of 245.28 g/mol, XLogP of 0.67, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-(2-methylpyrazol-3-yl)sulfonyl-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 127884962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).