2-(1H-imidazol-2-ylsulfonyl)-6-methoxy-3-nitropyridine

C9H8N4O5S — CID 153406645

IUPAC2-(1H-imidazol-2-ylsulfonyl)-6-methoxy-3-nitropyridine
SMILESCOc1ccc([N+](=O)[O-])c(S(=O)(=O)c2ncc[nH]2)n1
InChIInChI=1S/C9H8N4O5S/c1-18-7-3-2-6(13(14)15)8(12-7)19(16,17)9-10-4-5-11-9/h2-5H,1H3,(H,10,11)
InChIKeyMVRPXONXVHIPCC-UHFFFAOYSA-N
MW284.25 g/mol
LogP0.55
Rot. Bonds4

About 2-(1H-imidazol-2-ylsulfonyl)-6-methoxy-3-nitropyridine

2-(1H-imidazol-2-ylsulfonyl)-6-methoxy-3-nitropyridine (PubChem CID 153406645) has the molecular formula C9H8N4O5S and a molecular weight of 284.25 g/mol. Its IUPAC name is 2-(1H-imidazol-2-ylsulfonyl)-6-methoxy-3-nitropyridine.

Molecular Properties

Compound Name2-(1H-imidazol-2-ylsulfonyl)-6-methoxy-3-nitropyridine
PubChem CID153406645
Molecular FormulaC9H8N4O5S
Molecular Weight284.25 g/mol
Exact Mass284.02
IUPAC Name2-(1H-imidazol-2-ylsulfonyl)-6-methoxy-3-nitropyridine
SMILESCOc1ccc([N+](=O)[O-])c(S(=O)(=O)c2ncc[nH]2)n1
InChIInChI=1S/C9H8N4O5S/c1-18-7-3-2-6(13(14)15)8(12-7)19(16,17)9-10-4-5-11-9/h2-5H,1H3,(H,10,11)
InChIKeyMVRPXONXVHIPCC-UHFFFAOYSA-N
XLogP0.55
TPSA128.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.25
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

2-(3-methyl-4-nitrophenyl)sulfonyl-1H-imidazole
CID 58962404
2-[4-(1H-imidazol-2-ylsulfonyl)-2-nitrophenyl]-1H-imidazole
CID 67618442
N-[2-[(6-methoxy-3-nitro-2-pyridinyl)sulfonyl]ethyl]acetamide
CID 142411393
CID 157299402
CID 157299402
6-methoxy-N,N-dimethyl-3-nitropyridin-2-amine
CID 53407025
6-methoxy-3-nitro-2-propan-2-ylpyridine
CID 146296357
6-methoxy-3-nitro-2-pyrrol-1-ylpyridine
CID 10560813
6-methoxy-3-nitro-2-[[(E)-2-phenylethenyl]sulfonylmethyl]pyridine
CID 102428111
2-benzylsulfanyl-6-methoxy-3-nitropyridine
CID 135308487
2-[(6-methoxy-3-nitro-2-pyridinyl)sulfanyl]ethanesulfonamide
CID 115323386
methyl 2-(6-methoxy-3-nitro-2-pyridinyl)acetate
CID 12036409
N,N'-bis(6-methoxy-3-nitro-2-pyridinyl)heptane-1,7-diamine
CID 110172492

Frequently Asked Questions

What is the IUPAC name of 2-(1H-imidazol-2-ylsulfonyl)-6-methoxy-3-nitropyridine?
The IUPAC name of 2-(1H-imidazol-2-ylsulfonyl)-6-methoxy-3-nitropyridine (CID 153406645) is 2-(1H-imidazol-2-ylsulfonyl)-6-methoxy-3-nitropyridine.
What is the SMILES notation for 2-(1H-imidazol-2-ylsulfonyl)-6-methoxy-3-nitropyridine?
The canonical SMILES for 2-(1H-imidazol-2-ylsulfonyl)-6-methoxy-3-nitropyridine is COc1ccc([N+](=O)[O-])c(S(=O)(=O)c2ncc[nH]2)n1.
What is the InChIKey of 2-(1H-imidazol-2-ylsulfonyl)-6-methoxy-3-nitropyridine?
The InChIKey is MVRPXONXVHIPCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N4O5S/c1-18-7-3-2-6(13(14)15)8(12-7)19(16,17)9-10-4-5-11-9/h2-5H,1H3,(H,10,11).
What are the key properties of 2-(1H-imidazol-2-ylsulfonyl)-6-methoxy-3-nitropyridine?
2-(1H-imidazol-2-ylsulfonyl)-6-methoxy-3-nitropyridine has a molecular weight of 284.25 g/mol, XLogP of 0.55, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-imidazol-2-ylsulfonyl)-6-methoxy-3-nitropyridine is sourced from PubChem (CID 153406645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).