[2-[(6-methoxy-3-nitro-2-pyridinyl)sulfanyl]-3-methylimidazol-4-yl]methanol

C11H12N4O4S — CID 115323202

IUPAC[2-[(6-methoxy-3-nitro-2-pyridinyl)sulfanyl]-3-methylimidazol-4-yl]methanol
SMILESCOc1ccc([N+](=O)[O-])c(Sc2ncc(CO)n2C)n1
InChIInChI=1S/C11H12N4O4S/c1-14-7(6-16)5-12-11(14)20-10-8(15(17)18)3-4-9(13-10)19-2/h3-5,16H,6H2,1-2H3
InChIKeyZLPHXBHCECEHQW-UHFFFAOYSA-N
MW296.31 g/mol
LogP1.38
Rot. Bonds5

About [2-[(6-methoxy-3-nitro-2-pyridinyl)sulfanyl]-3-methylimidazol-4-yl]methanol

[2-[(6-methoxy-3-nitro-2-pyridinyl)sulfanyl]-3-methylimidazol-4-yl]methanol (PubChem CID 115323202) has the molecular formula C11H12N4O4S and a molecular weight of 296.31 g/mol. Its IUPAC name is [2-[(6-methoxy-3-nitro-2-pyridinyl)sulfanyl]-3-methylimidazol-4-yl]methanol.

Molecular Properties

Compound Name[2-[(6-methoxy-3-nitro-2-pyridinyl)sulfanyl]-3-methylimidazol-4-yl]methanol
PubChem CID115323202
Molecular FormulaC11H12N4O4S
Molecular Weight296.31 g/mol
Exact Mass296.06
IUPAC Name[2-[(6-methoxy-3-nitro-2-pyridinyl)sulfanyl]-3-methylimidazol-4-yl]methanol
SMILESCOc1ccc([N+](=O)[O-])c(Sc2ncc(CO)n2C)n1
InChIInChI=1S/C11H12N4O4S/c1-14-7(6-16)5-12-11(14)20-10-8(15(17)18)3-4-9(13-10)19-2/h3-5,16H,6H2,1-2H3
InChIKeyZLPHXBHCECEHQW-UHFFFAOYSA-N
XLogP1.38
TPSA103.31 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.31
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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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Related Compounds

[3-methyl-2-[2-(2-nitrophenyl)ethylsulfanyl]imidazol-4-yl]methanol
CID 66150464
[3-methyl-2-(3-methyl-5-nitroimidazol-4-yl)sulfanylimidazol-4-yl]methanol
CID 66149847
[2-[(2-fluoro-6-nitrophenyl)methylsulfanyl]-3-methylimidazol-4-yl]methanol
CID 111537005
2-(3-chloropropylsulfanyl)-6-methoxy-3-nitropyridine
CID 115323207
[3-methyl-2-(3-methyl-5-nitrophenyl)sulfanylimidazol-4-yl]methanol
CID 112649396
methyl 3-[(6-methoxy-3-nitro-2-pyridinyl)sulfanyl]propanoate
CID 142411399
[2-[(4-bromo-1,3-thiazol-2-yl)sulfanyl]-3-methylimidazol-4-yl]methanol
CID 79400145
2-[(6-methoxy-3-nitro-2-pyridinyl)sulfanyl]ethanesulfonamide
CID 115323386
2-benzylsulfanyl-6-methoxy-3-nitropyridine
CID 135308487
[2-[(3-bromo-2-pyridinyl)sulfanyl]-3-methylimidazol-4-yl]methanol
CID 66150914
methyl 4-[5-(hydroxymethyl)-1-methylimidazol-2-yl]sulfanyl-6-methylpyrimidine-2-carboxylate
CID 66285490
[2-(3-methoxypropylsulfanyl)-3-methylimidazol-4-yl]methanol
CID 66149420

Frequently Asked Questions

What is the IUPAC name of [2-[(6-methoxy-3-nitro-2-pyridinyl)sulfanyl]-3-methylimidazol-4-yl]methanol?
The IUPAC name of [2-[(6-methoxy-3-nitro-2-pyridinyl)sulfanyl]-3-methylimidazol-4-yl]methanol (CID 115323202) is [2-[(6-methoxy-3-nitro-2-pyridinyl)sulfanyl]-3-methylimidazol-4-yl]methanol.
What is the SMILES notation for [2-[(6-methoxy-3-nitro-2-pyridinyl)sulfanyl]-3-methylimidazol-4-yl]methanol?
The canonical SMILES for [2-[(6-methoxy-3-nitro-2-pyridinyl)sulfanyl]-3-methylimidazol-4-yl]methanol is COc1ccc([N+](=O)[O-])c(Sc2ncc(CO)n2C)n1.
What is the InChIKey of [2-[(6-methoxy-3-nitro-2-pyridinyl)sulfanyl]-3-methylimidazol-4-yl]methanol?
The InChIKey is ZLPHXBHCECEHQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O4S/c1-14-7(6-16)5-12-11(14)20-10-8(15(17)18)3-4-9(13-10)19-2/h3-5,16H,6H2,1-2H3.
What are the key properties of [2-[(6-methoxy-3-nitro-2-pyridinyl)sulfanyl]-3-methylimidazol-4-yl]methanol?
[2-[(6-methoxy-3-nitro-2-pyridinyl)sulfanyl]-3-methylimidazol-4-yl]methanol has a molecular weight of 296.31 g/mol, XLogP of 1.38, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(6-methoxy-3-nitro-2-pyridinyl)sulfanyl]-3-methylimidazol-4-yl]methanol is sourced from PubChem (CID 115323202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).