dipyridin-2-ylmethanesulfonic acid

C11H10N2O3S — CID 11569476

IUPACdipyridin-2-ylmethanesulfonic acid
SMILESO=S(=O)(O)C(c1ccccn1)c1ccccn1
InChIInChI=1S/C11H10N2O3S/c14-17(15,16)11(9-5-1-3-7-12-9)10-6-2-4-8-13-10/h1-8,11H,(H,14,15,16)
InChIKeyIZQLBQAABUFTMU-UHFFFAOYSA-N
MW250.28 g/mol
LogP1.45
Rot. Bonds3

About dipyridin-2-ylmethanesulfonic acid

dipyridin-2-ylmethanesulfonic acid (PubChem CID 11569476) has the molecular formula C11H10N2O3S and a molecular weight of 250.28 g/mol. Its IUPAC name is dipyridin-2-ylmethanesulfonic acid.

Molecular Properties

Compound Namedipyridin-2-ylmethanesulfonic acid
PubChem CID11569476
Molecular FormulaC11H10N2O3S
Molecular Weight250.28 g/mol
Exact Mass250.04
IUPAC Namedipyridin-2-ylmethanesulfonic acid
SMILESO=S(=O)(O)C(c1ccccn1)c1ccccn1
InChIInChI=1S/C11H10N2O3S/c14-17(15,16)11(9-5-1-3-7-12-9)10-6-2-4-8-13-10/h1-8,11H,(H,14,15,16)
InChIKeyIZQLBQAABUFTMU-UHFFFAOYSA-N
XLogP1.45
TPSA80.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.28
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

phenyl(pyridin-2-yl)methanesulfonamide
CID 62085635
2-(1-pyridin-2-ylethyl)guanidine;sulfuric acid
CID 70436230
2-methylpropane;pyridine-2-sulfonic acid
CID 174713168
2-(dipyridin-2-ylmethyl)pyridine
CID 10332212
dipyridin-2-ylmethanol;palladium(2+);dichloride
CID 173385206
(1R)-1-pyridin-2-ylethanesulfonamide
CID 94347246
lithium 2-pyridin-2-ylpropanoate
CID 175058549
2,4-dipyridin-2-ylpentan-3-one
CID 141048798
methylsulfonyl 2-amino-2-pyridin-2-ylacetate
CID 174813905
N-(1-pyridin-2-ylethyl)methanesulfonamide
CID 60681407
(1S)-N-methyl-1-pyridin-2-ylethanesulfonamide
CID 97167945
[(1S)-1-pyridin-2-ylethyl] methanesulfonate
CID 11790238

Frequently Asked Questions

What is the IUPAC name of dipyridin-2-ylmethanesulfonic acid?
The IUPAC name of dipyridin-2-ylmethanesulfonic acid (CID 11569476) is dipyridin-2-ylmethanesulfonic acid.
What is the SMILES notation for dipyridin-2-ylmethanesulfonic acid?
The canonical SMILES for dipyridin-2-ylmethanesulfonic acid is O=S(=O)(O)C(c1ccccn1)c1ccccn1.
What is the InChIKey of dipyridin-2-ylmethanesulfonic acid?
The InChIKey is IZQLBQAABUFTMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O3S/c14-17(15,16)11(9-5-1-3-7-12-9)10-6-2-4-8-13-10/h1-8,11H,(H,14,15,16).
What are the key properties of dipyridin-2-ylmethanesulfonic acid?
dipyridin-2-ylmethanesulfonic acid has a molecular weight of 250.28 g/mol, XLogP of 1.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dipyridin-2-ylmethanesulfonic acid is sourced from PubChem (CID 11569476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).