[5-[2-methylsulfonyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]-2-pyridinyl]methanol

C13H12N6O3S — CID 122694233

IUPAC[5-[2-methylsulfonyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]-2-pyridinyl]methanol
SMILESCS(=O)(=O)c1nccc(-c2ccc(CO)nc2)c1-c1nn[nH]n1
InChIInChI=1S/C13H12N6O3S/c1-23(21,22)13-11(12-16-18-19-17-12)10(4-5-14-13)8-2-3-9(7-20)15-6-8/h2-6,20H,7H2,1H3,(H,16,17,18,19)
InChIKeyQHFAPYGLODUELK-UHFFFAOYSA-N
MW332.35 g/mol
LogP0.22
Rot. Bonds4

About [5-[2-methylsulfonyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]-2-pyridinyl]methanol

[5-[2-methylsulfonyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]-2-pyridinyl]methanol (PubChem CID 122694233) has the molecular formula C13H12N6O3S and a molecular weight of 332.35 g/mol. Its IUPAC name is [5-[2-methylsulfonyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]-2-pyridinyl]methanol.

Molecular Properties

Compound Name[5-[2-methylsulfonyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]-2-pyridinyl]methanol
PubChem CID122694233
Molecular FormulaC13H12N6O3S
Molecular Weight332.35 g/mol
Exact Mass332.07
IUPAC Name[5-[2-methylsulfonyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]-2-pyridinyl]methanol
SMILESCS(=O)(=O)c1nccc(-c2ccc(CO)nc2)c1-c1nn[nH]n1
InChIInChI=1S/C13H12N6O3S/c1-23(21,22)13-11(12-16-18-19-17-12)10(4-5-14-13)8-2-3-9(7-20)15-6-8/h2-6,20H,7H2,1H3,(H,16,17,18,19)
InChIKeyQHFAPYGLODUELK-UHFFFAOYSA-N
XLogP0.22
TPSA134.61 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.35
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

2-(4-(Hydroxymethyl)phenyl)-3-(1H-tetrazol-5-yl)pyridine-4-sulfonamide
CID 118256917
(3P)-4-[4-(hydroxymethyl)phenyl]-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide
CID 118257356
3-[2-(hydroxymethyl)-4-pyridinyl]-2-(2H-tetrazol-5-yl)benzenesulfonamide
CID 118266121
6-(hydroxymethyl)-3''-(1H-tetrazol-5-yl)-[3,4''-bipyridine]-2''-sulfonamide
CID 118265340
3-[6-(hydroxymethyl)-3-pyridinyl]-2-(2H-tetrazol-5-yl)benzenesulfonamide
CID 118256785
[4-[4-methylsulfonyl-3-(2H-tetrazol-5-yl)-2-pyridinyl]phenyl]methanol
CID 122694148
[4-[2-methylsulfonyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]phenyl]methanol
CID 122694154
[4-[5-methylsulfonyl-4-(2H-tetrazol-5-yl)-3-pyridinyl]phenyl]methanol
CID 122694181
[5-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]methanol
CID 122694256
[4-[3-(2H-tetrazol-5-yl)-2-(2-trimethylsilylethylsulfonyl)-4-pyridinyl]phenyl]methanol
CID 140751852
[4-[3-(2H-tetrazol-5-yl)-4-(2-trimethylsilylethylsulfonyl)-2-pyridinyl]phenyl]methanol
CID 140751928
1-(4-Methylsulfonylphenyl)-2-(5-pyridin-3-yltetrazol-2-yl)ethanol
CID 51102166

Frequently Asked Questions

What is the IUPAC name of [5-[2-methylsulfonyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]-2-pyridinyl]methanol?
The IUPAC name of [5-[2-methylsulfonyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]-2-pyridinyl]methanol (CID 122694233) is [5-[2-methylsulfonyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]-2-pyridinyl]methanol.
What is the SMILES notation for [5-[2-methylsulfonyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]-2-pyridinyl]methanol?
The canonical SMILES for [5-[2-methylsulfonyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]-2-pyridinyl]methanol is CS(=O)(=O)c1nccc(-c2ccc(CO)nc2)c1-c1nn[nH]n1.
What is the InChIKey of [5-[2-methylsulfonyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]-2-pyridinyl]methanol?
The InChIKey is QHFAPYGLODUELK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N6O3S/c1-23(21,22)13-11(12-16-18-19-17-12)10(4-5-14-13)8-2-3-9(7-20)15-6-8/h2-6,20H,7H2,1H3,(H,16,17,18,19).
What are the key properties of [5-[2-methylsulfonyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]-2-pyridinyl]methanol?
[5-[2-methylsulfonyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]-2-pyridinyl]methanol has a molecular weight of 332.35 g/mol, XLogP of 0.22, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[2-methylsulfonyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]-2-pyridinyl]methanol is sourced from PubChem (CID 122694233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).