2-methyl-6-(1H-pyrazol-5-ylsulfanyl)pyridine

C9H9N3S — CID 152552822

IUPAC2-methyl-6-(1H-pyrazol-5-ylsulfanyl)pyridine
SMILESCc1cccc(Sc2ccn[nH]2)n1
InChIInChI=1S/C9H9N3S/c1-7-3-2-4-8(11-7)13-9-5-6-10-12-9/h2-6H,1H3,(H,10,12)
InChIKeyYNVRRKBUMBMCPV-UHFFFAOYSA-N
MW191.26 g/mol
LogP2.26
Rot. Bonds2

About 2-methyl-6-(1H-pyrazol-5-ylsulfanyl)pyridine

2-methyl-6-(1H-pyrazol-5-ylsulfanyl)pyridine (PubChem CID 152552822) has the molecular formula C9H9N3S and a molecular weight of 191.26 g/mol. Its IUPAC name is 2-methyl-6-(1H-pyrazol-5-ylsulfanyl)pyridine.

Molecular Properties

Compound Name2-methyl-6-(1H-pyrazol-5-ylsulfanyl)pyridine
PubChem CID152552822
Molecular FormulaC9H9N3S
Molecular Weight191.26 g/mol
Exact Mass191.05
IUPAC Name2-methyl-6-(1H-pyrazol-5-ylsulfanyl)pyridine
SMILESCc1cccc(Sc2ccn[nH]2)n1
InChIInChI=1S/C9H9N3S/c1-7-3-2-4-8(11-7)13-9-5-6-10-12-9/h2-6H,1H3,(H,10,12)
InChIKeyYNVRRKBUMBMCPV-UHFFFAOYSA-N
XLogP2.26
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.26
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(1H-pyrazol-5-ylsulfanyl)pyridine?
The IUPAC name of 2-methyl-6-(1H-pyrazol-5-ylsulfanyl)pyridine (CID 152552822) is 2-methyl-6-(1H-pyrazol-5-ylsulfanyl)pyridine.
What is the SMILES notation for 2-methyl-6-(1H-pyrazol-5-ylsulfanyl)pyridine?
The canonical SMILES for 2-methyl-6-(1H-pyrazol-5-ylsulfanyl)pyridine is Cc1cccc(Sc2ccn[nH]2)n1.
What is the InChIKey of 2-methyl-6-(1H-pyrazol-5-ylsulfanyl)pyridine?
The InChIKey is YNVRRKBUMBMCPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3S/c1-7-3-2-4-8(11-7)13-9-5-6-10-12-9/h2-6H,1H3,(H,10,12).
What are the key properties of 2-methyl-6-(1H-pyrazol-5-ylsulfanyl)pyridine?
2-methyl-6-(1H-pyrazol-5-ylsulfanyl)pyridine has a molecular weight of 191.26 g/mol, XLogP of 2.26, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(1H-pyrazol-5-ylsulfanyl)pyridine is sourced from PubChem (CID 152552822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).