2-propylsulfonylpyridine tetrafluoroborate

C8H11BF4NO2S- — CID 175603723

IUPAC2-propylsulfonylpyridine tetrafluoroborate
SMILESCCCS(=O)(=O)c1ccccn1.F[B-](F)(F)F
InChIInChI=1S/C8H11NO2S.BF4/c1-2-7-12(10,11)8-5-3-4-6-9-8;2-1(3,4)5/h3-6H,2,7H2,1H3;/q;-1
InChIKeyNHQQUGCVIHFKGY-UHFFFAOYSA-N
MW272.05 g/mol
LogP2.57
Rot. Bonds3

About 2-propylsulfonylpyridine tetrafluoroborate

2-propylsulfonylpyridine tetrafluoroborate (PubChem CID 175603723) has the molecular formula C8H11BF4NO2S- and a molecular weight of 272.05 g/mol. Its IUPAC name is 2-propylsulfonylpyridine tetrafluoroborate.

Molecular Properties

Compound Name2-propylsulfonylpyridine tetrafluoroborate
PubChem CID175603723
Molecular FormulaC8H11BF4NO2S-
Molecular Weight272.05 g/mol
Exact Mass272.05
IUPAC Name2-propylsulfonylpyridine tetrafluoroborate
SMILESCCCS(=O)(=O)c1ccccn1.F[B-](F)(F)F
InChIInChI=1S/C8H11NO2S.BF4/c1-2-7-12(10,11)8-5-3-4-6-9-8;2-1(3,4)5/h3-6H,2,7H2,1H3;/q;-1
InChIKeyNHQQUGCVIHFKGY-UHFFFAOYSA-N
XLogP2.57
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.05
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-2-pyridin-2-ylsulfonylethanamine
CID 71130386
2-(pyridin-2-ylsulfonylmethylsulfonyl)pyridine
CID 139827432
3-pyridin-2-ylsulfonylpropan-1-ol
CID 54271342
2-but-3-ynylsulfonylpyridine
CID 130666109
2-(chloromethylsulfonyl)pyridine
CID 54090294
2-[(2R)-2-methylheptyl]sulfonylpyridine
CID 102521509
N-propylpyridine-2-sulfonamide
CID 91182516
2-[2-[2-(2-methylphenyl)propan-2-yloxy]ethylsulfonyl]pyridine
CID 70906130
2-(diethoxyphosphorylmethylsulfonyl)pyridine
CID 23421466
2-[(2R)-2-phenylbutyl]sulfonylpyridine
CID 24898450
2-[(4-fluorophenyl)methylsulfonyl]pyridine
CID 22764648
2-[(2R)-2-ethyl-4-methylpentyl]sulfonylpyridine
CID 102521515

Frequently Asked Questions

What is the IUPAC name of 2-propylsulfonylpyridine tetrafluoroborate?
The IUPAC name of 2-propylsulfonylpyridine tetrafluoroborate (CID 175603723) is 2-propylsulfonylpyridine tetrafluoroborate.
What is the SMILES notation for 2-propylsulfonylpyridine tetrafluoroborate?
The canonical SMILES for 2-propylsulfonylpyridine tetrafluoroborate is CCCS(=O)(=O)c1ccccn1.F[B-](F)(F)F.
What is the InChIKey of 2-propylsulfonylpyridine tetrafluoroborate?
The InChIKey is NHQQUGCVIHFKGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2S.BF4/c1-2-7-12(10,11)8-5-3-4-6-9-8;2-1(3,4)5/h3-6H,2,7H2,1H3;/q;-1.
What are the key properties of 2-propylsulfonylpyridine tetrafluoroborate?
2-propylsulfonylpyridine tetrafluoroborate has a molecular weight of 272.05 g/mol, XLogP of 2.57, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propylsulfonylpyridine tetrafluoroborate is sourced from PubChem (CID 175603723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).