2-[1-[(5-bromo-2-nitro-3-pyridinyl)oxy]ethyl]-1,3-thiazole

C10H8BrN3O3S — CID 170429338

IUPAC2-[1-[(5-bromo-2-nitro-3-pyridinyl)oxy]ethyl]-1,3-thiazole
SMILESCC(Oc1cc(Br)cnc1[N+](=O)[O-])c1nccs1
InChIInChI=1S/C10H8BrN3O3S/c1-6(10-12-2-3-18-10)17-8-4-7(11)5-13-9(8)14(15)16/h2-6H,1H3
InChIKeyKAXCJUJBRMRJAA-UHFFFAOYSA-N
MW330.16 g/mol
LogP3.35
Rot. Bonds4

About 2-[1-[(5-bromo-2-nitro-3-pyridinyl)oxy]ethyl]-1,3-thiazole

2-[1-[(5-bromo-2-nitro-3-pyridinyl)oxy]ethyl]-1,3-thiazole (PubChem CID 170429338) has the molecular formula C10H8BrN3O3S and a molecular weight of 330.16 g/mol. Its IUPAC name is 2-[1-[(5-bromo-2-nitro-3-pyridinyl)oxy]ethyl]-1,3-thiazole.

Molecular Properties

Compound Name2-[1-[(5-bromo-2-nitro-3-pyridinyl)oxy]ethyl]-1,3-thiazole
PubChem CID170429338
Molecular FormulaC10H8BrN3O3S
Molecular Weight330.16 g/mol
Exact Mass328.95
IUPAC Name2-[1-[(5-bromo-2-nitro-3-pyridinyl)oxy]ethyl]-1,3-thiazole
SMILESCC(Oc1cc(Br)cnc1[N+](=O)[O-])c1nccs1
InChIInChI=1S/C10H8BrN3O3S/c1-6(10-12-2-3-18-10)17-8-4-7(11)5-13-9(8)14(15)16/h2-6H,1H3
InChIKeyKAXCJUJBRMRJAA-UHFFFAOYSA-N
XLogP3.35
TPSA78.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.16
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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-[(1R)-1-[(5-bromo-2-nitro-3-pyridinyl)oxy]ethyl]-1,3-thiazole
CID 164859458
5-bromo-3-[1-(1,3-thiazol-2-yl)ethoxy]pyridin-2-amine
CID 170429449
5-bromo-2-nitro-3-[(1R)-1-pyridin-4-ylethoxy]pyridine
CID 164859228
5-[1-[(5-bromo-2-nitro-3-pyridinyl)oxy]ethyl]-1,2-thiazole
CID 170429147
4-[(1R)-1-[(5-bromo-2-nitro-3-pyridinyl)oxy]ethyl]-2-methyl-1,3-thiazole
CID 164858810
1-(1,3-thiazol-2-yl)ethyl nitrate
CID 11321243
sodium;hydride;5-methoxy-6-nitropyridine-3-thiol
CID 175577892
2-nitro-N-[1-(1,3-thiazol-2-yl)ethyl]pyridin-3-amine
CID 112689948
5-bromo-3-iodo-2-nitropyridine
CID 130647643
5-bromo-3-chloro-2-nitropyridine
CID 131027901
1-[[4-[2-[1-[(5-bromo-2-nitro-3-pyridinyl)oxy]ethyl]-4-fluorophenyl]-1,3-thiazol-5-yl]methyl]pyrazole-4-carbonitrile
CID 166559877
5-bromo-3-[(1R)-1-[2-[5-[(1-ethylpyrazol-4-yl)methyl]-3-methoxypyrazol-1-yl]-5-fluorophenyl]ethoxy]-2-nitropyridine
CID 164718959

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(5-bromo-2-nitro-3-pyridinyl)oxy]ethyl]-1,3-thiazole?
The IUPAC name of 2-[1-[(5-bromo-2-nitro-3-pyridinyl)oxy]ethyl]-1,3-thiazole (CID 170429338) is 2-[1-[(5-bromo-2-nitro-3-pyridinyl)oxy]ethyl]-1,3-thiazole.
What is the SMILES notation for 2-[1-[(5-bromo-2-nitro-3-pyridinyl)oxy]ethyl]-1,3-thiazole?
The canonical SMILES for 2-[1-[(5-bromo-2-nitro-3-pyridinyl)oxy]ethyl]-1,3-thiazole is CC(Oc1cc(Br)cnc1[N+](=O)[O-])c1nccs1.
What is the InChIKey of 2-[1-[(5-bromo-2-nitro-3-pyridinyl)oxy]ethyl]-1,3-thiazole?
The InChIKey is KAXCJUJBRMRJAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrN3O3S/c1-6(10-12-2-3-18-10)17-8-4-7(11)5-13-9(8)14(15)16/h2-6H,1H3.
What are the key properties of 2-[1-[(5-bromo-2-nitro-3-pyridinyl)oxy]ethyl]-1,3-thiazole?
2-[1-[(5-bromo-2-nitro-3-pyridinyl)oxy]ethyl]-1,3-thiazole has a molecular weight of 330.16 g/mol, XLogP of 3.35, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(5-bromo-2-nitro-3-pyridinyl)oxy]ethyl]-1,3-thiazole is sourced from PubChem (CID 170429338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).