2-methylsulfonyl-4-pyridin-3-yl-3-(2H-tetrazol-5-yl)pyridine

C12H10N6O2S — CID 122694178

IUPAC2-methylsulfonyl-4-pyridin-3-yl-3-(2H-tetrazol-5-yl)pyridine
SMILESCS(=O)(=O)c1nccc(-c2cccnc2)c1-c1nn[nH]n1
InChIInChI=1S/C12H10N6O2S/c1-21(19,20)12-10(11-15-17-18-16-11)9(4-6-14-12)8-3-2-5-13-7-8/h2-7H,1H3,(H,15,16,17,18)
InChIKeyWCUJBYXSQGUYKF-UHFFFAOYSA-N
MW302.32 g/mol
LogP0.73
Rot. Bonds3

About 2-methylsulfonyl-4-pyridin-3-yl-3-(2H-tetrazol-5-yl)pyridine

2-methylsulfonyl-4-pyridin-3-yl-3-(2H-tetrazol-5-yl)pyridine (PubChem CID 122694178) has the molecular formula C12H10N6O2S and a molecular weight of 302.32 g/mol. Its IUPAC name is 2-methylsulfonyl-4-pyridin-3-yl-3-(2H-tetrazol-5-yl)pyridine.

Molecular Properties

Compound Name2-methylsulfonyl-4-pyridin-3-yl-3-(2H-tetrazol-5-yl)pyridine
PubChem CID122694178
Molecular FormulaC12H10N6O2S
Molecular Weight302.32 g/mol
Exact Mass302.06
IUPAC Name2-methylsulfonyl-4-pyridin-3-yl-3-(2H-tetrazol-5-yl)pyridine
SMILESCS(=O)(=O)c1nccc(-c2cccnc2)c1-c1nn[nH]n1
InChIInChI=1S/C12H10N6O2S/c1-21(19,20)12-10(11-15-17-18-16-11)9(4-6-14-12)8-3-2-5-13-7-8/h2-7H,1H3,(H,15,16,17,18)
InChIKeyWCUJBYXSQGUYKF-UHFFFAOYSA-N
XLogP0.73
TPSA114.38 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.32
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-methylsulfonyl-4-pyridin-3-yl-3-(2H-tetrazol-5-yl)pyridine?
The IUPAC name of 2-methylsulfonyl-4-pyridin-3-yl-3-(2H-tetrazol-5-yl)pyridine (CID 122694178) is 2-methylsulfonyl-4-pyridin-3-yl-3-(2H-tetrazol-5-yl)pyridine.
What is the SMILES notation for 2-methylsulfonyl-4-pyridin-3-yl-3-(2H-tetrazol-5-yl)pyridine?
The canonical SMILES for 2-methylsulfonyl-4-pyridin-3-yl-3-(2H-tetrazol-5-yl)pyridine is CS(=O)(=O)c1nccc(-c2cccnc2)c1-c1nn[nH]n1.
What is the InChIKey of 2-methylsulfonyl-4-pyridin-3-yl-3-(2H-tetrazol-5-yl)pyridine?
The InChIKey is WCUJBYXSQGUYKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N6O2S/c1-21(19,20)12-10(11-15-17-18-16-11)9(4-6-14-12)8-3-2-5-13-7-8/h2-7H,1H3,(H,15,16,17,18).
What are the key properties of 2-methylsulfonyl-4-pyridin-3-yl-3-(2H-tetrazol-5-yl)pyridine?
2-methylsulfonyl-4-pyridin-3-yl-3-(2H-tetrazol-5-yl)pyridine has a molecular weight of 302.32 g/mol, XLogP of 0.73, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfonyl-4-pyridin-3-yl-3-(2H-tetrazol-5-yl)pyridine is sourced from PubChem (CID 122694178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).