2-cyclopropylsulfonyl-3-nitropyridine

C8H8N2O4S — CID 153380489

IUPAC2-cyclopropylsulfonyl-3-nitropyridine
SMILESO=[N+]([O-])c1cccnc1S(=O)(=O)C1CC1
InChIInChI=1S/C8H8N2O4S/c11-10(12)7-2-1-5-9-8(7)15(13,14)6-3-4-6/h1-2,5-6H,3-4H2
InChIKeyICNRGRMGJJDAIX-UHFFFAOYSA-N
MW228.23 g/mol
LogP0.93
Rot. Bonds3

About 2-cyclopropylsulfonyl-3-nitropyridine

2-cyclopropylsulfonyl-3-nitropyridine (PubChem CID 153380489) has the molecular formula C8H8N2O4S and a molecular weight of 228.23 g/mol. Its IUPAC name is 2-cyclopropylsulfonyl-3-nitropyridine.

Molecular Properties

Compound Name2-cyclopropylsulfonyl-3-nitropyridine
PubChem CID153380489
Molecular FormulaC8H8N2O4S
Molecular Weight228.23 g/mol
Exact Mass228.02
IUPAC Name2-cyclopropylsulfonyl-3-nitropyridine
SMILESO=[N+]([O-])c1cccnc1S(=O)(=O)C1CC1
InChIInChI=1S/C8H8N2O4S/c11-10(12)7-2-1-5-9-8(7)15(13,14)6-3-4-6/h1-2,5-6H,3-4H2
InChIKeyICNRGRMGJJDAIX-UHFFFAOYSA-N
XLogP0.93
TPSA90.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.23
LogP ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-nitro-2-piperidin-4-ylsulfonylpyridine
CID 71635613
3-nitro-2-[(3S)-pyrrolidin-3-yl]sulfonylpyridine
CID 71635607
3-nitro-2-piperidin-3-ylsulfonylpyridine
CID 71635609
N-cyclopropyl-3-nitropyridine-2-sulfonamide
CID 71650427
1-[(3-nitro-2-pyridinyl)sulfonyl]piperazine
CID 71635629
[(2S)-1-[(3-nitro-2-pyridinyl)sulfonyl]piperidin-2-yl]methanamine
CID 97165430
4-[(3-nitro-2-pyridinyl)sulfonyl]butanenitrile
CID 154753078
2-(2-chloro-2-cyclopropylethyl)-3-nitropyridine
CID 63353206
CID 19910057
CID 19910057
N-cyclopropyl-3-nitropyridin-2-amine;hydrochloride
CID 133059151
(2S)-1-[(3-nitro-2-pyridinyl)sulfonyl]piperazine-2-carboxylic acid
CID 97166524
[5-bromo-1-(3-nitro-2-pyridinyl)pyrrolidin-2-yl]methanol
CID 118393140

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropylsulfonyl-3-nitropyridine?
The IUPAC name of 2-cyclopropylsulfonyl-3-nitropyridine (CID 153380489) is 2-cyclopropylsulfonyl-3-nitropyridine.
What is the SMILES notation for 2-cyclopropylsulfonyl-3-nitropyridine?
The canonical SMILES for 2-cyclopropylsulfonyl-3-nitropyridine is O=[N+]([O-])c1cccnc1S(=O)(=O)C1CC1.
What is the InChIKey of 2-cyclopropylsulfonyl-3-nitropyridine?
The InChIKey is ICNRGRMGJJDAIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O4S/c11-10(12)7-2-1-5-9-8(7)15(13,14)6-3-4-6/h1-2,5-6H,3-4H2.
What are the key properties of 2-cyclopropylsulfonyl-3-nitropyridine?
2-cyclopropylsulfonyl-3-nitropyridine has a molecular weight of 228.23 g/mol, XLogP of 0.93, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropylsulfonyl-3-nitropyridine is sourced from PubChem (CID 153380489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).