2,6-dibromo-4-(4-nitrophenyl)sulfanylpyridine

C11H6Br2N2O2S — CID 10883644

IUPAC2,6-dibromo-4-(4-nitrophenyl)sulfanylpyridine
SMILESO=[N+]([O-])c1ccc(Sc2cc(Br)nc(Br)c2)cc1
InChIInChI=1S/C11H6Br2N2O2S/c12-10-5-9(6-11(13)14-10)18-8-3-1-7(2-4-8)15(16)17/h1-6H
InChIKeyAQZYJKWPVAMDSM-UHFFFAOYSA-N
MW390.06 g/mol
LogP4.67
Rot. Bonds3

About 2,6-dibromo-4-(4-nitrophenyl)sulfanylpyridine

2,6-dibromo-4-(4-nitrophenyl)sulfanylpyridine (PubChem CID 10883644) has the molecular formula C11H6Br2N2O2S and a molecular weight of 390.06 g/mol. Its IUPAC name is 2,6-dibromo-4-(4-nitrophenyl)sulfanylpyridine.

Molecular Properties

Compound Name2,6-dibromo-4-(4-nitrophenyl)sulfanylpyridine
PubChem CID10883644
Molecular FormulaC11H6Br2N2O2S
Molecular Weight390.06 g/mol
Exact Mass387.85
IUPAC Name2,6-dibromo-4-(4-nitrophenyl)sulfanylpyridine
SMILESO=[N+]([O-])c1ccc(Sc2cc(Br)nc(Br)c2)cc1
InChIInChI=1S/C11H6Br2N2O2S/c12-10-5-9(6-11(13)14-10)18-8-3-1-7(2-4-8)15(16)17/h1-6H
InChIKeyAQZYJKWPVAMDSM-UHFFFAOYSA-N
XLogP4.67
TPSA56.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.06
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-nitro-4-(4-nitrophenyl)sulfanylbenzene
CID 14655
1-[4-(4-bromophenyl)sulfanylphenyl]sulfanyl-4-nitrobenzene
CID 11774413
2-(4-nitrophenyl)sulfanylnaphthalene
CID 18971685
1-nitro-4-[4-[4-(4-nitrophenyl)sulfanylphenyl]sulfonylphenyl]sulfanylbenzene
CID 71326517
3-(4-bromophenyl)sulfanyl-5-nitroaniline
CID 80893175
[4-(4-nitrophenyl)sulfanylphenyl]methanol
CID 63835646
2-bromo-4-iodo-1-(4-nitrophenyl)sulfanylbenzene
CID 91877763
1,2-diethyl-4-(4-nitrophenyl)sulfanylbenzene
CID 91879901
2-methyl-4-(4-nitrophenyl)sulfanylphenol
CID 91879495
2-chloro-4-(4-nitrophenyl)sulfanyl-6-(trifluoromethyl)pyrimidine
CID 114563010
4-chloro-2-ethyl-6-(4-nitrophenyl)sulfanylpyrimidine
CID 80936390
4-chloro-6-(4-nitrophenyl)sulfanyl-2-(trifluoromethyl)pyrimidine
CID 106768660

Frequently Asked Questions

What is the IUPAC name of 2,6-dibromo-4-(4-nitrophenyl)sulfanylpyridine?
The IUPAC name of 2,6-dibromo-4-(4-nitrophenyl)sulfanylpyridine (CID 10883644) is 2,6-dibromo-4-(4-nitrophenyl)sulfanylpyridine.
What is the SMILES notation for 2,6-dibromo-4-(4-nitrophenyl)sulfanylpyridine?
The canonical SMILES for 2,6-dibromo-4-(4-nitrophenyl)sulfanylpyridine is O=[N+]([O-])c1ccc(Sc2cc(Br)nc(Br)c2)cc1.
What is the InChIKey of 2,6-dibromo-4-(4-nitrophenyl)sulfanylpyridine?
The InChIKey is AQZYJKWPVAMDSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6Br2N2O2S/c12-10-5-9(6-11(13)14-10)18-8-3-1-7(2-4-8)15(16)17/h1-6H.
What are the key properties of 2,6-dibromo-4-(4-nitrophenyl)sulfanylpyridine?
2,6-dibromo-4-(4-nitrophenyl)sulfanylpyridine has a molecular weight of 390.06 g/mol, XLogP of 4.67, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dibromo-4-(4-nitrophenyl)sulfanylpyridine is sourced from PubChem (CID 10883644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).