2,6-dimethyl-4-methylsulfanyl-3-nitropyridine

C8H10N2O2S — CID 10512161

IUPAC2,6-dimethyl-4-methylsulfanyl-3-nitropyridine
SMILESCSc1cc(C)nc(C)c1[N+](=O)[O-]
InChIInChI=1S/C8H10N2O2S/c1-5-4-7(13-3)8(10(11)12)6(2)9-5/h4H,1-3H3
InChIKeyCLBMSUVYAYDTJW-UHFFFAOYSA-N
MW198.25 g/mol
LogP2.33
Rot. Bonds2

About 2,6-dimethyl-4-methylsulfanyl-3-nitropyridine

2,6-dimethyl-4-methylsulfanyl-3-nitropyridine (PubChem CID 10512161) has the molecular formula C8H10N2O2S and a molecular weight of 198.25 g/mol. Its IUPAC name is 2,6-dimethyl-4-methylsulfanyl-3-nitropyridine.

Molecular Properties

Compound Name2,6-dimethyl-4-methylsulfanyl-3-nitropyridine
PubChem CID10512161
Molecular FormulaC8H10N2O2S
Molecular Weight198.25 g/mol
Exact Mass198.05
IUPAC Name2,6-dimethyl-4-methylsulfanyl-3-nitropyridine
SMILESCSc1cc(C)nc(C)c1[N+](=O)[O-]
InChIInChI=1S/C8H10N2O2S/c1-5-4-7(13-3)8(10(11)12)6(2)9-5/h4H,1-3H3
InChIKeyCLBMSUVYAYDTJW-UHFFFAOYSA-N
XLogP2.33
TPSA56.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.25
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-chloro-5-methyl-3-methylsulfanyl-2-nitrobenzene
CID 130935670
CID 163587529
CID 163587529
6-methyl-3-nitro-2,4-di(propan-2-yl)pyridine
CID 146312275
4-(2,6-dimethyl-3-nitro-4-pyridinyl)-1,4-thiazinane 1,1-dioxide;hydrochloride
CID 20569595
4-amino-6-methyl-5-nitropyridine-2-carbonitrile
CID 164544737
4-chloro-6-methyl-2-(4-methylphenyl)-3-nitropyridine
CID 139267002
2-methylsulfanyl-1-nitronaphthalene
CID 13221798
1-ethynyl-2,4,5-trimethyl-3-nitrobenzene
CID 71417559
2,7-dimethyl-3-nitropyrido[1,2-a]pyrimidin-4-one
CID 24862942
2,6-dimethyl-5-nitropyridine-3,4-diamine
CID 18715461
1-fluoro-5-methyl-2-nitro-3-(trifluoromethylsulfanyl)benzene
CID 134630196
4-(difluoromethyl)-6-methyl-5-nitropyridine-2-carbonyl chloride
CID 133099090

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-methylsulfanyl-3-nitropyridine?
The IUPAC name of 2,6-dimethyl-4-methylsulfanyl-3-nitropyridine (CID 10512161) is 2,6-dimethyl-4-methylsulfanyl-3-nitropyridine.
What is the SMILES notation for 2,6-dimethyl-4-methylsulfanyl-3-nitropyridine?
The canonical SMILES for 2,6-dimethyl-4-methylsulfanyl-3-nitropyridine is CSc1cc(C)nc(C)c1[N+](=O)[O-].
What is the InChIKey of 2,6-dimethyl-4-methylsulfanyl-3-nitropyridine?
The InChIKey is CLBMSUVYAYDTJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2S/c1-5-4-7(13-3)8(10(11)12)6(2)9-5/h4H,1-3H3.
What are the key properties of 2,6-dimethyl-4-methylsulfanyl-3-nitropyridine?
2,6-dimethyl-4-methylsulfanyl-3-nitropyridine has a molecular weight of 198.25 g/mol, XLogP of 2.33, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-methylsulfanyl-3-nitropyridine is sourced from PubChem (CID 10512161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).