5-bromo-3-nitro-2-(2-thiophen-2-ylethoxy)pyridine

C11H9BrN2O3S — CID 54966722

IUPAC5-bromo-3-nitro-2-(2-thiophen-2-ylethoxy)pyridine
SMILESO=[N+]([O-])c1cc(Br)cnc1OCCc1cccs1
InChIInChI=1S/C11H9BrN2O3S/c12-8-6-10(14(15)16)11(13-7-8)17-4-3-9-2-1-5-18-9/h1-2,5-7H,3-4H2
InChIKeyNIURZXAPHBPCAQ-UHFFFAOYSA-N
MW329.18 g/mol
LogP3.44
Rot. Bonds5

About 5-bromo-3-nitro-2-(2-thiophen-2-ylethoxy)pyridine

5-bromo-3-nitro-2-(2-thiophen-2-ylethoxy)pyridine (PubChem CID 54966722) has the molecular formula C11H9BrN2O3S and a molecular weight of 329.18 g/mol. Its IUPAC name is 5-bromo-3-nitro-2-(2-thiophen-2-ylethoxy)pyridine.

Molecular Properties

Compound Name5-bromo-3-nitro-2-(2-thiophen-2-ylethoxy)pyridine
PubChem CID54966722
Molecular FormulaC11H9BrN2O3S
Molecular Weight329.18 g/mol
Exact Mass327.95
IUPAC Name5-bromo-3-nitro-2-(2-thiophen-2-ylethoxy)pyridine
SMILESO=[N+]([O-])c1cc(Br)cnc1OCCc1cccs1
InChIInChI=1S/C11H9BrN2O3S/c12-8-6-10(14(15)16)11(13-7-8)17-4-3-9-2-1-5-18-9/h1-2,5-7H,3-4H2
InChIKeyNIURZXAPHBPCAQ-UHFFFAOYSA-N
XLogP3.44
TPSA65.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.18
LogP ≤ 53.44
H-Bond Donors ≤ 50
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-bromo-2-(2-thiophen-2-ylethoxy)-3-pyridinyl]methanamine
CID 62322458
5-bromo-3-nitro-2-pent-4-enoxypyridine
CID 79114231
5-bromo-2-[(4-bromophenyl)methoxy]-3-nitropyridine
CID 82831572
3-bromo-5-methyl-2-(2-thiophen-2-ylethoxy)pyridine
CID 105368298
2-[2-[(4-bromo-3-nitrophenyl)methoxy]ethyl]thiophene
CID 113335363
5-bromo-3-nitro-2-(2-propoxyphenoxy)pyridine
CID 61374167
[3-nitro-4-(2-thiophen-2-ylethoxy)phenyl]methanol
CID 63773650
2-thiophen-2-ylethyl nitrate
CID 54344199
5-bromo-3-nitro-2-pyridin-3-yloxypyridine
CID 61374906
3-nitro-4-(2-thiophen-2-ylethoxy)benzonitrile
CID 112688054
5-bromo-2-(4-bromo-2-nitrophenoxy)-3-nitropyridine
CID 65430932
5-bromo-2-(cyclobutylmethoxy)-3-nitropyridine
CID 45158681

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-nitro-2-(2-thiophen-2-ylethoxy)pyridine?
The IUPAC name of 5-bromo-3-nitro-2-(2-thiophen-2-ylethoxy)pyridine (CID 54966722) is 5-bromo-3-nitro-2-(2-thiophen-2-ylethoxy)pyridine.
What is the SMILES notation for 5-bromo-3-nitro-2-(2-thiophen-2-ylethoxy)pyridine?
The canonical SMILES for 5-bromo-3-nitro-2-(2-thiophen-2-ylethoxy)pyridine is O=[N+]([O-])c1cc(Br)cnc1OCCc1cccs1.
What is the InChIKey of 5-bromo-3-nitro-2-(2-thiophen-2-ylethoxy)pyridine?
The InChIKey is NIURZXAPHBPCAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrN2O3S/c12-8-6-10(14(15)16)11(13-7-8)17-4-3-9-2-1-5-18-9/h1-2,5-7H,3-4H2.
What are the key properties of 5-bromo-3-nitro-2-(2-thiophen-2-ylethoxy)pyridine?
5-bromo-3-nitro-2-(2-thiophen-2-ylethoxy)pyridine has a molecular weight of 329.18 g/mol, XLogP of 3.44, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-nitro-2-(2-thiophen-2-ylethoxy)pyridine is sourced from PubChem (CID 54966722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).