2-[(5-nitro-2-pyridinyl)sulfanyl]ethanol

C7H8N2O3S — CID 43385380

IUPAC2-[(5-nitro-2-pyridinyl)sulfanyl]ethanol
SMILESO=[N+]([O-])c1ccc(SCCO)nc1
InChIInChI=1S/C7H8N2O3S/c10-3-4-13-7-2-1-6(5-8-7)9(11)12/h1-2,5,10H,3-4H2
InChIKeyQRXFWNAZDAMHGI-UHFFFAOYSA-N
MW200.22 g/mol
LogP1.07
Rot. Bonds4

About 2-[(5-nitro-2-pyridinyl)sulfanyl]ethanol

2-[(5-nitro-2-pyridinyl)sulfanyl]ethanol (PubChem CID 43385380) has the molecular formula C7H8N2O3S and a molecular weight of 200.22 g/mol. Its IUPAC name is 2-[(5-nitro-2-pyridinyl)sulfanyl]ethanol.

Molecular Properties

Compound Name2-[(5-nitro-2-pyridinyl)sulfanyl]ethanol
PubChem CID43385380
Molecular FormulaC7H8N2O3S
Molecular Weight200.22 g/mol
Exact Mass200.03
IUPAC Name2-[(5-nitro-2-pyridinyl)sulfanyl]ethanol
SMILESO=[N+]([O-])c1ccc(SCCO)nc1
InChIInChI=1S/C7H8N2O3S/c10-3-4-13-7-2-1-6(5-8-7)9(11)12/h1-2,5,10H,3-4H2
InChIKeyQRXFWNAZDAMHGI-UHFFFAOYSA-N
XLogP1.07
TPSA76.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.22
LogP ≤ 51.07
H-Bond Donors ≤ 51
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

2-[(5-nitro-2-pyridinyl)sulfanyl]ethyl acetate
CID 143226129
(3R)-3-[(5-nitro-2-pyridinyl)disulfanyl]butan-1-ol
CID 126748954
ethane;2-methylsulfanyl-5-nitropyridine
CID 142860412
(E)-6-[(5-nitro-2-pyridinyl)sulfanyl]hex-4-en-2-one
CID 123465261
2-(ethyldisulfanyl)-5-nitropyridine
CID 58752642
2-[(4-bromophenyl)methylsulfanyl]-5-nitropyridine
CID 4910238
2-[(5-bromo-2-pyridinyl)sulfanyl]ethanol
CID 43446269
4-[4-[(5-nitro-2-pyridinyl)sulfanyl]butanoylamino]butanoic acid
CID 82033774
3-methyl-2-[3-[(5-nitro-2-pyridinyl)sulfanyl]propanoylamino]butanoic acid
CID 82032766
2-(1H-imidazol-5-ylmethylsulfanyl)-5-nitropyridine
CID 10331662
2-[(3,4-dichlorophenyl)methylsulfanyl]-5-nitropyridine
CID 2960257
chloro 3-[(5-nitro-2-pyridinyl)disulfanyl]propanoate
CID 135304033

Frequently Asked Questions

What is the IUPAC name of 2-[(5-nitro-2-pyridinyl)sulfanyl]ethanol?
The IUPAC name of 2-[(5-nitro-2-pyridinyl)sulfanyl]ethanol (CID 43385380) is 2-[(5-nitro-2-pyridinyl)sulfanyl]ethanol.
What is the SMILES notation for 2-[(5-nitro-2-pyridinyl)sulfanyl]ethanol?
The canonical SMILES for 2-[(5-nitro-2-pyridinyl)sulfanyl]ethanol is O=[N+]([O-])c1ccc(SCCO)nc1.
What is the InChIKey of 2-[(5-nitro-2-pyridinyl)sulfanyl]ethanol?
The InChIKey is QRXFWNAZDAMHGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O3S/c10-3-4-13-7-2-1-6(5-8-7)9(11)12/h1-2,5,10H,3-4H2.
What are the key properties of 2-[(5-nitro-2-pyridinyl)sulfanyl]ethanol?
2-[(5-nitro-2-pyridinyl)sulfanyl]ethanol has a molecular weight of 200.22 g/mol, XLogP of 1.07, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-nitro-2-pyridinyl)sulfanyl]ethanol is sourced from PubChem (CID 43385380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).