4-methyl-2-(3-methyl-5-nitroimidazol-4-yl)sulfanylpyridine

C10H10N4O2S — CID 4249136

IUPAC4-methyl-2-(3-methyl-5-nitroimidazol-4-yl)sulfanylpyridine
SMILESCc1ccnc(Sc2c([N+](=O)[O-])ncn2C)c1
InChIInChI=1S/C10H10N4O2S/c1-7-3-4-11-8(5-7)17-10-9(14(15)16)12-6-13(10)2/h3-6H,1-2H3
InChIKeyORIBUGIPLODNMT-UHFFFAOYSA-N
MW250.28 g/mol
LogP2.18
Rot. Bonds3

About 4-methyl-2-(3-methyl-5-nitroimidazol-4-yl)sulfanylpyridine

4-methyl-2-(3-methyl-5-nitroimidazol-4-yl)sulfanylpyridine (PubChem CID 4249136) has the molecular formula C10H10N4O2S and a molecular weight of 250.28 g/mol. Its IUPAC name is 4-methyl-2-(3-methyl-5-nitroimidazol-4-yl)sulfanylpyridine.

Molecular Properties

Compound Name4-methyl-2-(3-methyl-5-nitroimidazol-4-yl)sulfanylpyridine
PubChem CID4249136
Molecular FormulaC10H10N4O2S
Molecular Weight250.28 g/mol
Exact Mass250.05
IUPAC Name4-methyl-2-(3-methyl-5-nitroimidazol-4-yl)sulfanylpyridine
SMILESCc1ccnc(Sc2c([N+](=O)[O-])ncn2C)c1
InChIInChI=1S/C10H10N4O2S/c1-7-3-4-11-8(5-7)17-10-9(14(15)16)12-6-13(10)2/h3-6H,1-2H3
InChIKeyORIBUGIPLODNMT-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 4-methyl-2-(3-methyl-5-nitroimidazol-4-yl)sulfanylpyridine?
The IUPAC name of 4-methyl-2-(3-methyl-5-nitroimidazol-4-yl)sulfanylpyridine (CID 4249136) is 4-methyl-2-(3-methyl-5-nitroimidazol-4-yl)sulfanylpyridine.
What is the SMILES notation for 4-methyl-2-(3-methyl-5-nitroimidazol-4-yl)sulfanylpyridine?
The canonical SMILES for 4-methyl-2-(3-methyl-5-nitroimidazol-4-yl)sulfanylpyridine is Cc1ccnc(Sc2c([N+](=O)[O-])ncn2C)c1.
What is the InChIKey of 4-methyl-2-(3-methyl-5-nitroimidazol-4-yl)sulfanylpyridine?
The InChIKey is ORIBUGIPLODNMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O2S/c1-7-3-4-11-8(5-7)17-10-9(14(15)16)12-6-13(10)2/h3-6H,1-2H3.
What are the key properties of 4-methyl-2-(3-methyl-5-nitroimidazol-4-yl)sulfanylpyridine?
4-methyl-2-(3-methyl-5-nitroimidazol-4-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 4-methyl-2-(3-methyl-5-nitroimidazol-4-yl)sulfanylpyridine is sourced from PubChem (CID 4249136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).