2-(1,3-dimethyl-4-nitropyrazol-5-yl)sulfanylpyridine

C10H10N4O2S — CID 2806086

IUPAC2-(1,3-dimethyl-4-nitropyrazol-5-yl)sulfanylpyridine
SMILESCc1nn(C)c(Sc2ccccn2)c1[N+](=O)[O-]
InChIInChI=1S/C10H10N4O2S/c1-7-9(14(15)16)10(13(2)12-7)17-8-5-3-4-6-11-8/h3-6H,1-2H3
InChIKeyMJLPYXPFMCSNML-UHFFFAOYSA-N
MW250.28 g/mol
LogP2.18
Rot. Bonds3

About 2-(1,3-dimethyl-4-nitropyrazol-5-yl)sulfanylpyridine

2-(1,3-dimethyl-4-nitropyrazol-5-yl)sulfanylpyridine (PubChem CID 2806086) has the molecular formula C10H10N4O2S and a molecular weight of 250.28 g/mol. Its IUPAC name is 2-(1,3-dimethyl-4-nitropyrazol-5-yl)sulfanylpyridine.

Molecular Properties

Compound Name2-(1,3-dimethyl-4-nitropyrazol-5-yl)sulfanylpyridine
PubChem CID2806086
Molecular FormulaC10H10N4O2S
Molecular Weight250.28 g/mol
Exact Mass250.05
IUPAC Name2-(1,3-dimethyl-4-nitropyrazol-5-yl)sulfanylpyridine
SMILESCc1nn(C)c(Sc2ccccn2)c1[N+](=O)[O-]
InChIInChI=1S/C10H10N4O2S/c1-7-9(14(15)16)10(13(2)12-7)17-8-5-3-4-6-11-8/h3-6H,1-2H3
InChIKeyMJLPYXPFMCSNML-UHFFFAOYSA-N
XLogP2.18
TPSA73.85 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.28
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dimethyl-4-nitropyrazol-5-yl)sulfanylpyridine?
The IUPAC name of 2-(1,3-dimethyl-4-nitropyrazol-5-yl)sulfanylpyridine (CID 2806086) is 2-(1,3-dimethyl-4-nitropyrazol-5-yl)sulfanylpyridine.
What is the SMILES notation for 2-(1,3-dimethyl-4-nitropyrazol-5-yl)sulfanylpyridine?
The canonical SMILES for 2-(1,3-dimethyl-4-nitropyrazol-5-yl)sulfanylpyridine is Cc1nn(C)c(Sc2ccccn2)c1[N+](=O)[O-].
What is the InChIKey of 2-(1,3-dimethyl-4-nitropyrazol-5-yl)sulfanylpyridine?
The InChIKey is MJLPYXPFMCSNML-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O2S/c1-7-9(14(15)16)10(13(2)12-7)17-8-5-3-4-6-11-8/h3-6H,1-2H3.
What are the key properties of 2-(1,3-dimethyl-4-nitropyrazol-5-yl)sulfanylpyridine?
2-(1,3-dimethyl-4-nitropyrazol-5-yl)sulfanylpyridine has a molecular weight of 250.28 g/mol, XLogP of 2.18, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dimethyl-4-nitropyrazol-5-yl)sulfanylpyridine is sourced from PubChem (CID 2806086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).