6-(2-azabicyclo[2.2.1]heptan-2-ylsulfonyl)pyridine-3-carboxylic acid

C12H14N2O4S — CID 55251988

IUPAC6-(2-azabicyclo[2.2.1]heptan-2-ylsulfonyl)pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(S(=O)(=O)N2CC3CCC2C3)nc1
InChIInChI=1S/C12H14N2O4S/c15-12(16)9-2-4-11(13-6-9)19(17,18)14-7-8-1-3-10(14)5-8/h2,4,6,8,10H,1,3,5,7H2,(H,15,16)
InChIKeyFFZWQXWBXUMPPB-UHFFFAOYSA-N
MW282.32 g/mol
LogP0.95
Rot. Bonds3

About 6-(2-azabicyclo[2.2.1]heptan-2-ylsulfonyl)pyridine-3-carboxylic acid

6-(2-azabicyclo[2.2.1]heptan-2-ylsulfonyl)pyridine-3-carboxylic acid (PubChem CID 55251988) has the molecular formula C12H14N2O4S and a molecular weight of 282.32 g/mol. Its IUPAC name is 6-(2-azabicyclo[2.2.1]heptan-2-ylsulfonyl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-(2-azabicyclo[2.2.1]heptan-2-ylsulfonyl)pyridine-3-carboxylic acid
PubChem CID55251988
Molecular FormulaC12H14N2O4S
Molecular Weight282.32 g/mol
Exact Mass282.07
IUPAC Name6-(2-azabicyclo[2.2.1]heptan-2-ylsulfonyl)pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(S(=O)(=O)N2CC3CCC2C3)nc1
InChIInChI=1S/C12H14N2O4S/c15-12(16)9-2-4-11(13-6-9)19(17,18)14-7-8-1-3-10(14)5-8/h2,4,6,8,10H,1,3,5,7H2,(H,15,16)
InChIKeyFFZWQXWBXUMPPB-UHFFFAOYSA-N
XLogP0.95
TPSA87.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.32
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(2-azabicyclo[2.2.1]heptan-2-ylsulfonyl)pyridine-3-carboxylic acid?
The IUPAC name of 6-(2-azabicyclo[2.2.1]heptan-2-ylsulfonyl)pyridine-3-carboxylic acid (CID 55251988) is 6-(2-azabicyclo[2.2.1]heptan-2-ylsulfonyl)pyridine-3-carboxylic acid.
What is the SMILES notation for 6-(2-azabicyclo[2.2.1]heptan-2-ylsulfonyl)pyridine-3-carboxylic acid?
The canonical SMILES for 6-(2-azabicyclo[2.2.1]heptan-2-ylsulfonyl)pyridine-3-carboxylic acid is O=C(O)c1ccc(S(=O)(=O)N2CC3CCC2C3)nc1.
What is the InChIKey of 6-(2-azabicyclo[2.2.1]heptan-2-ylsulfonyl)pyridine-3-carboxylic acid?
The InChIKey is FFZWQXWBXUMPPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O4S/c15-12(16)9-2-4-11(13-6-9)19(17,18)14-7-8-1-3-10(14)5-8/h2,4,6,8,10H,1,3,5,7H2,(H,15,16).
What are the key properties of 6-(2-azabicyclo[2.2.1]heptan-2-ylsulfonyl)pyridine-3-carboxylic acid?
6-(2-azabicyclo[2.2.1]heptan-2-ylsulfonyl)pyridine-3-carboxylic acid has a molecular weight of 282.32 g/mol, XLogP of 0.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-azabicyclo[2.2.1]heptan-2-ylsulfonyl)pyridine-3-carboxylic acid is sourced from PubChem (CID 55251988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).