2-(1-methylsulfonylcyclopropyl)-5-nitropyridine

C9H10N2O4S — CID 170324953

IUPAC2-(1-methylsulfonylcyclopropyl)-5-nitropyridine
SMILESCS(=O)(=O)C1(c2ccc([N+](=O)[O-])cn2)CC1
InChIInChI=1S/C9H10N2O4S/c1-16(14,15)9(4-5-9)8-3-2-7(6-10-8)11(12)13/h2-3,6H,4-5H2,1H3
InChIKeyMXNNIRBCBSXYTE-UHFFFAOYSA-N
MW242.26 g/mol
LogP1.02
Rot. Bonds3

About 2-(1-methylsulfonylcyclopropyl)-5-nitropyridine

2-(1-methylsulfonylcyclopropyl)-5-nitropyridine (PubChem CID 170324953) has the molecular formula C9H10N2O4S and a molecular weight of 242.26 g/mol. Its IUPAC name is 2-(1-methylsulfonylcyclopropyl)-5-nitropyridine.

Molecular Properties

Compound Name2-(1-methylsulfonylcyclopropyl)-5-nitropyridine
PubChem CID170324953
Molecular FormulaC9H10N2O4S
Molecular Weight242.26 g/mol
Exact Mass242.04
IUPAC Name2-(1-methylsulfonylcyclopropyl)-5-nitropyridine
SMILESCS(=O)(=O)C1(c2ccc([N+](=O)[O-])cn2)CC1
InChIInChI=1S/C9H10N2O4S/c1-16(14,15)9(4-5-9)8-3-2-7(6-10-8)11(12)13/h2-3,6H,4-5H2,1H3
InChIKeyMXNNIRBCBSXYTE-UHFFFAOYSA-N
XLogP1.02
TPSA90.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.26
LogP ≤ 51.02
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

ethane;2-methyl-5-nitropyridine
CID 123657002
ethyl-methyl-[(5-nitro-2-pyridinyl)imino]-oxo-λ6-sulfane
CID 125450837
5-nitro-2-propan-2-ylsulfonylpyridine
CID 23537091
azepane;5-(5-nitro-2-pyridinyl)-1-azoniabicyclo[3.2.0]heptane
CID 173103101
1-(4-methylphenyl)sulfonyl-N-(5-nitro-2-pyridinyl)cyclopropane-1-carboxamide
CID 4640475
N-(2-methylcyclopropyl)-5-nitropyridin-2-amine
CID 62397740
3-methyl-1-(5-nitro-2-pyridinyl)pyrrolidine-3-carboxylic acid
CID 63147135
methane;5-nitropyridin-2-amine
CID 174857781
N-(2,2-dimethylpropyl)-5-nitropyridin-2-amine
CID 59380857
N-(1-methylsulfonylpiperidin-3-yl)-5-nitropyridin-2-amine
CID 47077189
ethane;2-methylsulfanyl-5-nitropyridine
CID 142860412
N-methyl-2-[(5-nitro-2-pyridinyl)amino]ethanesulfonamide
CID 102675378

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylsulfonylcyclopropyl)-5-nitropyridine?
The IUPAC name of 2-(1-methylsulfonylcyclopropyl)-5-nitropyridine (CID 170324953) is 2-(1-methylsulfonylcyclopropyl)-5-nitropyridine.
What is the SMILES notation for 2-(1-methylsulfonylcyclopropyl)-5-nitropyridine?
The canonical SMILES for 2-(1-methylsulfonylcyclopropyl)-5-nitropyridine is CS(=O)(=O)C1(c2ccc([N+](=O)[O-])cn2)CC1.
What is the InChIKey of 2-(1-methylsulfonylcyclopropyl)-5-nitropyridine?
The InChIKey is MXNNIRBCBSXYTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O4S/c1-16(14,15)9(4-5-9)8-3-2-7(6-10-8)11(12)13/h2-3,6H,4-5H2,1H3.
What are the key properties of 2-(1-methylsulfonylcyclopropyl)-5-nitropyridine?
2-(1-methylsulfonylcyclopropyl)-5-nitropyridine has a molecular weight of 242.26 g/mol, XLogP of 1.02, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylsulfonylcyclopropyl)-5-nitropyridine is sourced from PubChem (CID 170324953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).