2H-pyridin-1-yl methanesulfonate

C6H9NO3S — CID 71775579

IUPAC2H-pyridin-1-yl methanesulfonate
SMILESCS(=O)(=O)ON1C=CC=CC1
InChIInChI=1S/C6H9NO3S/c1-11(8,9)10-7-5-3-2-4-6-7/h2-5H,6H2,1H3
InChIKeyZFWZGJOGTAOYRF-UHFFFAOYSA-N
MW175.21 g/mol
LogP0.26
Rot. Bonds2

About 2H-pyridin-1-yl methanesulfonate

2H-pyridin-1-yl methanesulfonate (PubChem CID 71775579) has the molecular formula C6H9NO3S and a molecular weight of 175.21 g/mol. Its IUPAC name is 2H-pyridin-1-yl methanesulfonate.

Molecular Properties

Compound Name2H-pyridin-1-yl methanesulfonate
PubChem CID71775579
Molecular FormulaC6H9NO3S
Molecular Weight175.21 g/mol
Exact Mass175.03
IUPAC Name2H-pyridin-1-yl methanesulfonate
SMILESCS(=O)(=O)ON1C=CC=CC1
InChIInChI=1S/C6H9NO3S/c1-11(8,9)10-7-5-3-2-4-6-7/h2-5H,6H2,1H3
InChIKeyZFWZGJOGTAOYRF-UHFFFAOYSA-N
XLogP0.26
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.21
LogP ≤ 50.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2H-pyridin-1-yl methanesulfonate?
The IUPAC name of 2H-pyridin-1-yl methanesulfonate (CID 71775579) is 2H-pyridin-1-yl methanesulfonate.
What is the SMILES notation for 2H-pyridin-1-yl methanesulfonate?
The canonical SMILES for 2H-pyridin-1-yl methanesulfonate is CS(=O)(=O)ON1C=CC=CC1.
What is the InChIKey of 2H-pyridin-1-yl methanesulfonate?
The InChIKey is ZFWZGJOGTAOYRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO3S/c1-11(8,9)10-7-5-3-2-4-6-7/h2-5H,6H2,1H3.
What are the key properties of 2H-pyridin-1-yl methanesulfonate?
2H-pyridin-1-yl methanesulfonate has a molecular weight of 175.21 g/mol, XLogP of 0.26, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-pyridin-1-yl methanesulfonate is sourced from PubChem (CID 71775579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).