5-nitro-2-propan-2-ylsulfonylpyridine

C8H10N2O4S — CID 23537091

IUPAC5-nitro-2-propan-2-ylsulfonylpyridine
SMILESCC(C)S(=O)(=O)c1ccc([N+](=O)[O-])cn1
InChIInChI=1S/C8H10N2O4S/c1-6(2)15(13,14)8-4-3-7(5-9-8)10(11)12/h3-6H,1-2H3
InChIKeyWJZHTYIJTSFJIE-UHFFFAOYSA-N
MW230.25 g/mol
LogP1.17
Rot. Bonds3

About 5-nitro-2-propan-2-ylsulfonylpyridine

5-nitro-2-propan-2-ylsulfonylpyridine (PubChem CID 23537091) has the molecular formula C8H10N2O4S and a molecular weight of 230.25 g/mol. Its IUPAC name is 5-nitro-2-propan-2-ylsulfonylpyridine.

Molecular Properties

Compound Name5-nitro-2-propan-2-ylsulfonylpyridine
PubChem CID23537091
Molecular FormulaC8H10N2O4S
Molecular Weight230.25 g/mol
Exact Mass230.04
IUPAC Name5-nitro-2-propan-2-ylsulfonylpyridine
SMILESCC(C)S(=O)(=O)c1ccc([N+](=O)[O-])cn1
InChIInChI=1S/C8H10N2O4S/c1-6(2)15(13,14)8-4-3-7(5-9-8)10(11)12/h3-6H,1-2H3
InChIKeyWJZHTYIJTSFJIE-UHFFFAOYSA-N
XLogP1.17
TPSA90.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.25
LogP ≤ 51.17
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

1-nitro-4-propan-2-ylsulfonylbenzene
CID 4228077
2-(benzenesulfonyl)-5-nitropyridine
CID 1477595
2-(4-chloro-3-methylphenyl)sulfonyl-5-nitropyridine
CID 118230894
2-(2,4-dichloro-5-methylphenyl)sulfonyl-5-nitropyridine
CID 2799605
ethane;2-methyl-5-nitropyridine
CID 123657002
3-(5-nitro-2-pyridinyl)butan-2-amine
CID 63198306
(2R)-1-(5-nitro-2-pyridinyl)propan-2-amine
CID 95028659
2-(2-chloropropyl)-5-nitropyridine
CID 63205077
(3S)-3-methyl-1-[(5-nitro-2-pyridinyl)sulfonyl]piperazine
CID 97163318
2-(4-chlorobutan-2-ylsulfonyl)-4-nitropyridine
CID 66136115
5-[(5-nitro-2-pyridinyl)sulfonyl]pentanoic acid
CID 69065694
N-methyl-3-(5-nitro-2-pyridinyl)butan-2-amine
CID 63199360

Frequently Asked Questions

What is the IUPAC name of 5-nitro-2-propan-2-ylsulfonylpyridine?
The IUPAC name of 5-nitro-2-propan-2-ylsulfonylpyridine (CID 23537091) is 5-nitro-2-propan-2-ylsulfonylpyridine.
What is the SMILES notation for 5-nitro-2-propan-2-ylsulfonylpyridine?
The canonical SMILES for 5-nitro-2-propan-2-ylsulfonylpyridine is CC(C)S(=O)(=O)c1ccc([N+](=O)[O-])cn1.
What is the InChIKey of 5-nitro-2-propan-2-ylsulfonylpyridine?
The InChIKey is WJZHTYIJTSFJIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O4S/c1-6(2)15(13,14)8-4-3-7(5-9-8)10(11)12/h3-6H,1-2H3.
What are the key properties of 5-nitro-2-propan-2-ylsulfonylpyridine?
5-nitro-2-propan-2-ylsulfonylpyridine has a molecular weight of 230.25 g/mol, XLogP of 1.17, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-2-propan-2-ylsulfonylpyridine is sourced from PubChem (CID 23537091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).