2-nitro-5-pyridin-4-ylsulfanylphenol

C11H8N2O3S — CID 137484908

IUPAC2-nitro-5-pyridin-4-ylsulfanylphenol
SMILESO=[N+]([O-])c1ccc(Sc2ccncc2)cc1O
InChIInChI=1S/C11H8N2O3S/c14-11-7-9(1-2-10(11)13(15)16)17-8-3-5-12-6-4-8/h1-7,14H
InChIKeyADIBCVINHRHHTL-UHFFFAOYSA-N
MW248.26 g/mol
LogP2.85
Rot. Bonds3

About 2-nitro-5-pyridin-4-ylsulfanylphenol

2-nitro-5-pyridin-4-ylsulfanylphenol (PubChem CID 137484908) has the molecular formula C11H8N2O3S and a molecular weight of 248.26 g/mol. Its IUPAC name is 2-nitro-5-pyridin-4-ylsulfanylphenol.

Molecular Properties

Compound Name2-nitro-5-pyridin-4-ylsulfanylphenol
PubChem CID137484908
Molecular FormulaC11H8N2O3S
Molecular Weight248.26 g/mol
Exact Mass248.03
IUPAC Name2-nitro-5-pyridin-4-ylsulfanylphenol
SMILESO=[N+]([O-])c1ccc(Sc2ccncc2)cc1O
InChIInChI=1S/C11H8N2O3S/c14-11-7-9(1-2-10(11)13(15)16)17-8-3-5-12-6-4-8/h1-7,14H
InChIKeyADIBCVINHRHHTL-UHFFFAOYSA-N
XLogP2.85
TPSA76.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.26
LogP ≤ 52.85
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

5-(4-iodophenyl)sulfanyl-2-nitrophenol
CID 91877745
4-[2-nitro-4-(3-nitro-4-pyridin-4-ylsulfanylphenyl)sulfanylphenyl]sulfanylpyridine
CID 145339218
4-(3-hydroxy-4-nitrophenyl)sulfanylbenzonitrile
CID 91878194
4-(4-iodophenyl)sulfanyl-2-nitrophenol
CID 91879536
3-nitro-4-pyridin-4-ylsulfanylbenzenesulfonamide
CID 133411072
4-(3-methoxy-4-nitrophenyl)sulfanylphenol
CID 63675664
4-(4-methoxyphenyl)sulfanyl-2-nitrophenol
CID 91879724
5-nitro-6-pyridin-4-ylsulfanylpyridine-3-carboxylic acid
CID 81440204
(1S)-1-(4-nitro-5-pyridin-4-ylsulfanylthiophen-2-yl)ethanol
CID 103942554
(1R)-1-(4-nitro-5-pyridin-4-ylsulfanylthiophen-2-yl)ethanol
CID 103942555
2-nitro-5-sulfanylphenol
CID 57204619
3-nitro-4-pyridin-4-ylsulfanylbenzonitrile
CID 122134137

Frequently Asked Questions

What is the IUPAC name of 2-nitro-5-pyridin-4-ylsulfanylphenol?
The IUPAC name of 2-nitro-5-pyridin-4-ylsulfanylphenol (CID 137484908) is 2-nitro-5-pyridin-4-ylsulfanylphenol.
What is the SMILES notation for 2-nitro-5-pyridin-4-ylsulfanylphenol?
The canonical SMILES for 2-nitro-5-pyridin-4-ylsulfanylphenol is O=[N+]([O-])c1ccc(Sc2ccncc2)cc1O.
What is the InChIKey of 2-nitro-5-pyridin-4-ylsulfanylphenol?
The InChIKey is ADIBCVINHRHHTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2O3S/c14-11-7-9(1-2-10(11)13(15)16)17-8-3-5-12-6-4-8/h1-7,14H.
What are the key properties of 2-nitro-5-pyridin-4-ylsulfanylphenol?
2-nitro-5-pyridin-4-ylsulfanylphenol has a molecular weight of 248.26 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-nitro-5-pyridin-4-ylsulfanylphenol is sourced from PubChem (CID 137484908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).