5-chloro-2-(3-methyl-5-nitroimidazol-4-yl)sulfonylpyridine

C9H7ClN4O4S — CID 171984491

IUPAC5-chloro-2-(3-methyl-5-nitroimidazol-4-yl)sulfonylpyridine
SMILESCn1cnc([N+](=O)[O-])c1S(=O)(=O)c1ccc(Cl)cn1
InChIInChI=1S/C9H7ClN4O4S/c1-13-5-12-8(14(15)16)9(13)19(17,18)7-3-2-6(10)4-11-7/h2-5H,1H3
InChIKeyQEDXDYGXQPKVLM-UHFFFAOYSA-N
MW302.70 g/mol
LogP1.21
Rot. Bonds3

About 5-chloro-2-(3-methyl-5-nitroimidazol-4-yl)sulfonylpyridine

5-chloro-2-(3-methyl-5-nitroimidazol-4-yl)sulfonylpyridine (PubChem CID 171984491) has the molecular formula C9H7ClN4O4S and a molecular weight of 302.70 g/mol. Its IUPAC name is 5-chloro-2-(3-methyl-5-nitroimidazol-4-yl)sulfonylpyridine.

Molecular Properties

Compound Name5-chloro-2-(3-methyl-5-nitroimidazol-4-yl)sulfonylpyridine
PubChem CID171984491
Molecular FormulaC9H7ClN4O4S
Molecular Weight302.70 g/mol
Exact Mass301.99
IUPAC Name5-chloro-2-(3-methyl-5-nitroimidazol-4-yl)sulfonylpyridine
SMILESCn1cnc([N+](=O)[O-])c1S(=O)(=O)c1ccc(Cl)cn1
InChIInChI=1S/C9H7ClN4O4S/c1-13-5-12-8(14(15)16)9(13)19(17,18)7-3-2-6(10)4-11-7/h2-5H,1H3
InChIKeyQEDXDYGXQPKVLM-UHFFFAOYSA-N
XLogP1.21
TPSA107.99 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.70
LogP ≤ 51.21
H-Bond Donors ≤ 50
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

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5-chloropyridine-2-sulfonyl chloride;hydrochloride
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5-(2-chloro-4-methylpentan-3-yl)-1-methyl-4-nitroimidazole
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5-(2-chloro-6-methylphenyl)sulfanyl-1-methyl-4-nitroimidazole
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5-chloro-2-(3-methyl-5-nitroimidazol-4-yl)oxybenzoic acid
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O-(3-methyl-5-nitroimidazol-4-yl)hydroxylamine
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2-(4-chloro-3-methylphenyl)sulfonyl-5-nitropyridine
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5-chloro-1-methyl-N-(4-nitrophenyl)imidazole-4-sulfonamide
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CID 2799605

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(3-methyl-5-nitroimidazol-4-yl)sulfonylpyridine?
The IUPAC name of 5-chloro-2-(3-methyl-5-nitroimidazol-4-yl)sulfonylpyridine (CID 171984491) is 5-chloro-2-(3-methyl-5-nitroimidazol-4-yl)sulfonylpyridine.
What is the SMILES notation for 5-chloro-2-(3-methyl-5-nitroimidazol-4-yl)sulfonylpyridine?
The canonical SMILES for 5-chloro-2-(3-methyl-5-nitroimidazol-4-yl)sulfonylpyridine is Cn1cnc([N+](=O)[O-])c1S(=O)(=O)c1ccc(Cl)cn1.
What is the InChIKey of 5-chloro-2-(3-methyl-5-nitroimidazol-4-yl)sulfonylpyridine?
The InChIKey is QEDXDYGXQPKVLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClN4O4S/c1-13-5-12-8(14(15)16)9(13)19(17,18)7-3-2-6(10)4-11-7/h2-5H,1H3.
What are the key properties of 5-chloro-2-(3-methyl-5-nitroimidazol-4-yl)sulfonylpyridine?
5-chloro-2-(3-methyl-5-nitroimidazol-4-yl)sulfonylpyridine has a molecular weight of 302.70 g/mol, XLogP of 1.21, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(3-methyl-5-nitroimidazol-4-yl)sulfonylpyridine is sourced from PubChem (CID 171984491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).