2-(2-methoxyethylsulfanyl)-3-nitropyridine

C8H10N2O3S — CID 133275081

IUPAC2-(2-methoxyethylsulfanyl)-3-nitropyridine
SMILESCOCCSc1ncccc1[N+](=O)[O-]
InChIInChI=1S/C8H10N2O3S/c1-13-5-6-14-8-7(10(11)12)3-2-4-9-8/h2-4H,5-6H2,1H3
InChIKeyZCTHNQUZQQTMFW-UHFFFAOYSA-N
MW214.25 g/mol
LogP1.73
Rot. Bonds5

About 2-(2-methoxyethylsulfanyl)-3-nitropyridine

2-(2-methoxyethylsulfanyl)-3-nitropyridine (PubChem CID 133275081) has the molecular formula C8H10N2O3S and a molecular weight of 214.25 g/mol. Its IUPAC name is 2-(2-methoxyethylsulfanyl)-3-nitropyridine.

Molecular Properties

Compound Name2-(2-methoxyethylsulfanyl)-3-nitropyridine
PubChem CID133275081
Molecular FormulaC8H10N2O3S
Molecular Weight214.25 g/mol
Exact Mass214.04
IUPAC Name2-(2-methoxyethylsulfanyl)-3-nitropyridine
SMILESCOCCSc1ncccc1[N+](=O)[O-]
InChIInChI=1S/C8H10N2O3S/c1-13-5-6-14-8-7(10(11)12)3-2-4-9-8/h2-4H,5-6H2,1H3
InChIKeyZCTHNQUZQQTMFW-UHFFFAOYSA-N
XLogP1.73
TPSA65.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.25
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-nitro-2-octylsulfanylpyridine
CID 174979790
3-nitro-2-(2-phenylsulfanylethylsulfanyl)pyridine;2-(2-phenylsulfanylethylsulfanyl)pyridin-3-amine
CID 159331718
N-(2-methoxyethyl)-5-[(3-nitro-2-pyridinyl)sulfanyl]-1,3,4-thiadiazol-2-amine
CID 18194883
2-[(3-nitro-2-pyridinyl)sulfanyl]ethyl 3-chlorobenzoate
CID 2801151
2-(3-chloro-2-methylpropyl)sulfanyl-3-nitropyridine
CID 66103569
methyl 6-(2-methoxyethylsulfanyl)-5-nitropyridine-2-carboxylate
CID 114404787
3-nitro-2-[(3-nitro-2-pyridinyl)trisulfanyl]pyridine
CID 18670954
2-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]-3-nitropyridine
CID 47458840
2-(4-methoxyphenyl)sulfanyl-3-nitropyridine
CID 10563412
2-[(2-chlorophenyl)methylsulfanyl]-3-nitropyridine
CID 133273785
dimethyl 2-[(3-nitro-2-pyridinyl)sulfanylmethylidene]propanedioate
CID 13236985
2-[2-(2-nitrophenyl)ethylsulfanyl]pyridine-3-carboxylic acid
CID 63062958

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethylsulfanyl)-3-nitropyridine?
The IUPAC name of 2-(2-methoxyethylsulfanyl)-3-nitropyridine (CID 133275081) is 2-(2-methoxyethylsulfanyl)-3-nitropyridine.
What is the SMILES notation for 2-(2-methoxyethylsulfanyl)-3-nitropyridine?
The canonical SMILES for 2-(2-methoxyethylsulfanyl)-3-nitropyridine is COCCSc1ncccc1[N+](=O)[O-].
What is the InChIKey of 2-(2-methoxyethylsulfanyl)-3-nitropyridine?
The InChIKey is ZCTHNQUZQQTMFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O3S/c1-13-5-6-14-8-7(10(11)12)3-2-4-9-8/h2-4H,5-6H2,1H3.
What are the key properties of 2-(2-methoxyethylsulfanyl)-3-nitropyridine?
2-(2-methoxyethylsulfanyl)-3-nitropyridine has a molecular weight of 214.25 g/mol, XLogP of 1.73, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethylsulfanyl)-3-nitropyridine is sourced from PubChem (CID 133275081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).