2-methyl-3-nitrosulfanylpyridine

C6H6N2O2S — CID 141378836

IUPAC2-methyl-3-nitrosulfanylpyridine
SMILESCc1ncccc1S[N+](=O)[O-]
InChIInChI=1S/C6H6N2O2S/c1-5-6(11-8(9)10)3-2-4-7-5/h2-4H,1H3
InChIKeyLJXYMZCZEBGOOH-UHFFFAOYSA-N
MW170.19 g/mol
LogP1.67
Rot. Bonds2

About 2-methyl-3-nitrosulfanylpyridine

2-methyl-3-nitrosulfanylpyridine (PubChem CID 141378836) has the molecular formula C6H6N2O2S and a molecular weight of 170.19 g/mol. Its IUPAC name is 2-methyl-3-nitrosulfanylpyridine.

Molecular Properties

Compound Name2-methyl-3-nitrosulfanylpyridine
PubChem CID141378836
Molecular FormulaC6H6N2O2S
Molecular Weight170.19 g/mol
Exact Mass170.01
IUPAC Name2-methyl-3-nitrosulfanylpyridine
SMILESCc1ncccc1S[N+](=O)[O-]
InChIInChI=1S/C6H6N2O2S/c1-5-6(11-8(9)10)3-2-4-7-5/h2-4H,1H3
InChIKeyLJXYMZCZEBGOOH-UHFFFAOYSA-N
XLogP1.67
TPSA56.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.19
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1,2-bis(nitrosulfanyl)benzene
CID 54329306
2-methyl-3-methylsulfanylpyridine;propane
CID 142465096
N-[(2-methyl-3-pyridinyl)sulfanyl]methanamine
CID 143294917
3-methylsulfanyl-2-nitropyridine
CID 130771705
ethane;3-ethylsulfanyl-2-methylpyridine
CID 142913740
(2-methyl-3-pyridinyl)methyl nitrate
CID 173165609
2-methylpyridine;nitric acid
CID 134537856
3-nitro-2-[2-[[2-[(3-nitro-2-pyridinyl)oxy]phenyl]disulfanyl]phenoxy]pyridine
CID 618978
2-methylpyridin-3-amine;hydroiodide
CID 172837374
azane;2-methylpyridin-3-amine
CID 67996717
carbon dioxide;2-methylpyridin-3-amine
CID 157100546
(2-nitro-3-pyridinyl) thiocyanate
CID 133060510

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-nitrosulfanylpyridine?
The IUPAC name of 2-methyl-3-nitrosulfanylpyridine (CID 141378836) is 2-methyl-3-nitrosulfanylpyridine.
What is the SMILES notation for 2-methyl-3-nitrosulfanylpyridine?
The canonical SMILES for 2-methyl-3-nitrosulfanylpyridine is Cc1ncccc1S[N+](=O)[O-].
What is the InChIKey of 2-methyl-3-nitrosulfanylpyridine?
The InChIKey is LJXYMZCZEBGOOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N2O2S/c1-5-6(11-8(9)10)3-2-4-7-5/h2-4H,1H3.
What are the key properties of 2-methyl-3-nitrosulfanylpyridine?
2-methyl-3-nitrosulfanylpyridine has a molecular weight of 170.19 g/mol, XLogP of 1.67, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-nitrosulfanylpyridine is sourced from PubChem (CID 141378836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).