3-methyl-2-(1-methylimidazol-2-yl)sulfanyl-5-nitropyridine

C10H10N4O2S — CID 901267

IUPAC3-methyl-2-(1-methylimidazol-2-yl)sulfanyl-5-nitropyridine
SMILESCc1cc([N+](=O)[O-])cnc1Sc1nccn1C
InChIInChI=1S/C10H10N4O2S/c1-7-5-8(14(15)16)6-12-9(7)17-10-11-3-4-13(10)2/h3-6H,1-2H3
InChIKeyWLKGVDWIHGRIFA-UHFFFAOYSA-N
MW250.28 g/mol
LogP2.18
Rot. Bonds3

About 3-methyl-2-(1-methylimidazol-2-yl)sulfanyl-5-nitropyridine

3-methyl-2-(1-methylimidazol-2-yl)sulfanyl-5-nitropyridine (PubChem CID 901267) has the molecular formula C10H10N4O2S and a molecular weight of 250.28 g/mol. Its IUPAC name is 3-methyl-2-(1-methylimidazol-2-yl)sulfanyl-5-nitropyridine.

Molecular Properties

Compound Name3-methyl-2-(1-methylimidazol-2-yl)sulfanyl-5-nitropyridine
PubChem CID901267
Molecular FormulaC10H10N4O2S
Molecular Weight250.28 g/mol
Exact Mass250.05
IUPAC Name3-methyl-2-(1-methylimidazol-2-yl)sulfanyl-5-nitropyridine
SMILESCc1cc([N+](=O)[O-])cnc1Sc1nccn1C
InChIInChI=1S/C10H10N4O2S/c1-7-5-8(14(15)16)6-12-9(7)17-10-11-3-4-13(10)2/h3-6H,1-2H3
InChIKeyWLKGVDWIHGRIFA-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 3-methyl-2-(1-methylimidazol-2-yl)sulfanyl-5-nitropyridine?
The IUPAC name of 3-methyl-2-(1-methylimidazol-2-yl)sulfanyl-5-nitropyridine (CID 901267) is 3-methyl-2-(1-methylimidazol-2-yl)sulfanyl-5-nitropyridine.
What is the SMILES notation for 3-methyl-2-(1-methylimidazol-2-yl)sulfanyl-5-nitropyridine?
The canonical SMILES for 3-methyl-2-(1-methylimidazol-2-yl)sulfanyl-5-nitropyridine is Cc1cc([N+](=O)[O-])cnc1Sc1nccn1C.
What is the InChIKey of 3-methyl-2-(1-methylimidazol-2-yl)sulfanyl-5-nitropyridine?
The InChIKey is WLKGVDWIHGRIFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O2S/c1-7-5-8(14(15)16)6-12-9(7)17-10-11-3-4-13(10)2/h3-6H,1-2H3.
What are the key properties of 3-methyl-2-(1-methylimidazol-2-yl)sulfanyl-5-nitropyridine?
3-methyl-2-(1-methylimidazol-2-yl)sulfanyl-5-nitropyridine 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 3-methyl-2-(1-methylimidazol-2-yl)sulfanyl-5-nitropyridine is sourced from PubChem (CID 901267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).