2-[(5-bromo-3-nitro-2-pyridinyl)sulfanyl]phenol

C11H7BrN2O3S — CID 62026506

IUPAC2-[(5-bromo-3-nitro-2-pyridinyl)sulfanyl]phenol
SMILESO=[N+]([O-])c1cc(Br)cnc1Sc1ccccc1O
InChIInChI=1S/C11H7BrN2O3S/c12-7-5-8(14(16)17)11(13-6-7)18-10-4-2-1-3-9(10)15/h1-6,15H
InChIKeyICDNBXIKLLGIPR-UHFFFAOYSA-N
MW327.16 g/mol
LogP3.61
Rot. Bonds3

About 2-[(5-bromo-3-nitro-2-pyridinyl)sulfanyl]phenol

2-[(5-bromo-3-nitro-2-pyridinyl)sulfanyl]phenol (PubChem CID 62026506) has the molecular formula C11H7BrN2O3S and a molecular weight of 327.16 g/mol. Its IUPAC name is 2-[(5-bromo-3-nitro-2-pyridinyl)sulfanyl]phenol.

Molecular Properties

Compound Name2-[(5-bromo-3-nitro-2-pyridinyl)sulfanyl]phenol
PubChem CID62026506
Molecular FormulaC11H7BrN2O3S
Molecular Weight327.16 g/mol
Exact Mass325.94
IUPAC Name2-[(5-bromo-3-nitro-2-pyridinyl)sulfanyl]phenol
SMILESO=[N+]([O-])c1cc(Br)cnc1Sc1ccccc1O
InChIInChI=1S/C11H7BrN2O3S/c12-7-5-8(14(16)17)11(13-6-7)18-10-4-2-1-3-9(10)15/h1-6,15H
InChIKeyICDNBXIKLLGIPR-UHFFFAOYSA-N
XLogP3.61
TPSA76.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.16
LogP ≤ 53.61
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'}

Analyze 2-[(5-bromo-3-nitro-2-pyridinyl)sulfanyl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(5-bromo-3-nitro-2-pyridinyl)sulfanyl]benzoic acid
CID 61229419
4-[(5-bromo-3-nitro-2-pyridinyl)sulfanyl]phenol
CID 61227488
2-(5-bromo-2-nitrophenyl)sulfanylphenol
CID 65343073
2-[[(5-bromo-3-nitro-2-pyridinyl)amino]methyl]phenol
CID 115698431
3-(2-hydroxyphenyl)sulfanyl-4-nitrophenol
CID 10659193
2-(4-iodo-2-nitrophenyl)sulfanylphenol
CID 66082508
2-(4-methyl-2-nitrophenyl)sulfanylphenol
CID 62027442
2-(5-fluoro-2-nitrophenyl)sulfanylphenol
CID 62375935
5-bromo-2-(cyclopentylmethylsulfanyl)-3-nitropyridine
CID 55176770
2-(4,5-dimethoxy-2-nitrophenyl)sulfanylphenol
CID 83004088
6-(2,5-difluorophenyl)sulfanyl-5-nitropyridine-3-carboxylic acid
CID 81447801
5-bromo-2-(2-chloro-2-phenylethyl)-3-nitropyridine
CID 63205220

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-3-nitro-2-pyridinyl)sulfanyl]phenol?
The IUPAC name of 2-[(5-bromo-3-nitro-2-pyridinyl)sulfanyl]phenol (CID 62026506) is 2-[(5-bromo-3-nitro-2-pyridinyl)sulfanyl]phenol.
What is the SMILES notation for 2-[(5-bromo-3-nitro-2-pyridinyl)sulfanyl]phenol?
The canonical SMILES for 2-[(5-bromo-3-nitro-2-pyridinyl)sulfanyl]phenol is O=[N+]([O-])c1cc(Br)cnc1Sc1ccccc1O.
What is the InChIKey of 2-[(5-bromo-3-nitro-2-pyridinyl)sulfanyl]phenol?
The InChIKey is ICDNBXIKLLGIPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrN2O3S/c12-7-5-8(14(16)17)11(13-6-7)18-10-4-2-1-3-9(10)15/h1-6,15H.
What are the key properties of 2-[(5-bromo-3-nitro-2-pyridinyl)sulfanyl]phenol?
2-[(5-bromo-3-nitro-2-pyridinyl)sulfanyl]phenol has a molecular weight of 327.16 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromo-3-nitro-2-pyridinyl)sulfanyl]phenol is sourced from PubChem (CID 62026506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).