2-[1-(2-fluorophenyl)ethylsulfanyl]-4-methyl-5-nitropyridine

C14H13FN2O2S — CID 133343083

IUPAC2-[1-(2-fluorophenyl)ethylsulfanyl]-4-methyl-5-nitropyridine
SMILESCc1cc(SC(C)c2ccccc2F)ncc1[N+](=O)[O-]
InChIInChI=1S/C14H13FN2O2S/c1-9-7-14(16-8-13(9)17(18)19)20-10(2)11-5-3-4-6-12(11)15/h3-8,10H,1-2H3
InChIKeySAVRNWURIYOQJA-UHFFFAOYSA-N
MW292.34 g/mol
LogP4.29
Rot. Bonds4

About 2-[1-(2-fluorophenyl)ethylsulfanyl]-4-methyl-5-nitropyridine

2-[1-(2-fluorophenyl)ethylsulfanyl]-4-methyl-5-nitropyridine (PubChem CID 133343083) has the molecular formula C14H13FN2O2S and a molecular weight of 292.34 g/mol. Its IUPAC name is 2-[1-(2-fluorophenyl)ethylsulfanyl]-4-methyl-5-nitropyridine.

Molecular Properties

Compound Name2-[1-(2-fluorophenyl)ethylsulfanyl]-4-methyl-5-nitropyridine
PubChem CID133343083
Molecular FormulaC14H13FN2O2S
Molecular Weight292.34 g/mol
Exact Mass292.07
IUPAC Name2-[1-(2-fluorophenyl)ethylsulfanyl]-4-methyl-5-nitropyridine
SMILESCc1cc(SC(C)c2ccccc2F)ncc1[N+](=O)[O-]
InChIInChI=1S/C14H13FN2O2S/c1-9-7-14(16-8-13(9)17(18)19)20-10(2)11-5-3-4-6-12(11)15/h3-8,10H,1-2H3
InChIKeySAVRNWURIYOQJA-UHFFFAOYSA-N
XLogP4.29
TPSA56.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 54.29
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

2-(3,5-difluorophenyl)sulfanyl-4-methyl-5-nitropyridine
CID 164944587
2-[(4-methyl-5-nitro-2-pyridinyl)sulfanyl]propan-1-ol
CID 115669183
5-chloro-2-[1-(2-fluorophenyl)ethylsulfanyl]pyridine
CID 112832335
3-[(4-methyl-5-nitro-2-pyridinyl)sulfanyl]butan-1-ol
CID 79175859
N-[1-(2-fluorophenyl)ethyl]-3-methyl-4-nitroaniline
CID 60970463
2-(2,3-difluorophenyl)-4-methyl-5-nitropyridine
CID 170837722
2-(2,3-difluorophenoxy)-4-methyl-5-nitropyridine
CID 133329231
5-bromo-N-[1-(2-fluorophenyl)ethyl]-N-methyl-3-nitropyridin-2-amine
CID 63008221
2,3,5,6-tetrafluoro-4-[1-(2-fluorophenyl)ethylsulfanyl]pyridine
CID 133371906
2-[(4-methyl-5-nitro-2-pyridinyl)sulfanyl]pyridine-3-carboxylic acid
CID 79174033
2-(2,6-dimethylphenyl)-4-methyl-5-nitropyridine
CID 67152544
4-bromo-2-[(4-methyl-5-nitro-2-pyridinyl)sulfanyl]benzoic acid
CID 115382260

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-fluorophenyl)ethylsulfanyl]-4-methyl-5-nitropyridine?
The IUPAC name of 2-[1-(2-fluorophenyl)ethylsulfanyl]-4-methyl-5-nitropyridine (CID 133343083) is 2-[1-(2-fluorophenyl)ethylsulfanyl]-4-methyl-5-nitropyridine.
What is the SMILES notation for 2-[1-(2-fluorophenyl)ethylsulfanyl]-4-methyl-5-nitropyridine?
The canonical SMILES for 2-[1-(2-fluorophenyl)ethylsulfanyl]-4-methyl-5-nitropyridine is Cc1cc(SC(C)c2ccccc2F)ncc1[N+](=O)[O-].
What is the InChIKey of 2-[1-(2-fluorophenyl)ethylsulfanyl]-4-methyl-5-nitropyridine?
The InChIKey is SAVRNWURIYOQJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2O2S/c1-9-7-14(16-8-13(9)17(18)19)20-10(2)11-5-3-4-6-12(11)15/h3-8,10H,1-2H3.
What are the key properties of 2-[1-(2-fluorophenyl)ethylsulfanyl]-4-methyl-5-nitropyridine?
2-[1-(2-fluorophenyl)ethylsulfanyl]-4-methyl-5-nitropyridine has a molecular weight of 292.34 g/mol, XLogP of 4.29, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-fluorophenyl)ethylsulfanyl]-4-methyl-5-nitropyridine is sourced from PubChem (CID 133343083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).