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

C10H8BrN3O3S — CID 164859458

IUPAC2-[(1R)-1-[(5-bromo-2-nitro-3-pyridinyl)oxy]ethyl]-1,3-thiazole
SMILESC[C@@H](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/t6-/m1/s1
InChIKeyKAXCJUJBRMRJAA-ZCFIWIBFSA-N
MW330.16 g/mol
LogP3.35
Rot. Bonds4

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

2-[(1R)-1-[(5-bromo-2-nitro-3-pyridinyl)oxy]ethyl]-1,3-thiazole (PubChem CID 164859458) has the molecular formula C10H8BrN3O3S and a molecular weight of 330.16 g/mol. Its IUPAC name is 2-[(1R)-1-[(5-bromo-2-nitro-3-pyridinyl)oxy]ethyl]-1,3-thiazole.

Molecular Properties

Compound Name2-[(1R)-1-[(5-bromo-2-nitro-3-pyridinyl)oxy]ethyl]-1,3-thiazole
PubChem CID164859458
Molecular FormulaC10H8BrN3O3S
Molecular Weight330.16 g/mol
Exact Mass328.95
IUPAC Name2-[(1R)-1-[(5-bromo-2-nitro-3-pyridinyl)oxy]ethyl]-1,3-thiazole
SMILESC[C@@H](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/t6-/m1/s1
InChIKeyKAXCJUJBRMRJAA-ZCFIWIBFSA-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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Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-1-[(5-bromo-2-nitro-3-pyridinyl)oxy]ethyl]-1,3-thiazole?
The IUPAC name of 2-[(1R)-1-[(5-bromo-2-nitro-3-pyridinyl)oxy]ethyl]-1,3-thiazole (CID 164859458) is 2-[(1R)-1-[(5-bromo-2-nitro-3-pyridinyl)oxy]ethyl]-1,3-thiazole.
What is the SMILES notation for 2-[(1R)-1-[(5-bromo-2-nitro-3-pyridinyl)oxy]ethyl]-1,3-thiazole?
The canonical SMILES for 2-[(1R)-1-[(5-bromo-2-nitro-3-pyridinyl)oxy]ethyl]-1,3-thiazole is C[C@@H](Oc1cc(Br)cnc1[N+](=O)[O-])c1nccs1.
What is the InChIKey of 2-[(1R)-1-[(5-bromo-2-nitro-3-pyridinyl)oxy]ethyl]-1,3-thiazole?
The InChIKey is KAXCJUJBRMRJAA-ZCFIWIBFSA-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/t6-/m1/s1.
What are the key properties of 2-[(1R)-1-[(5-bromo-2-nitro-3-pyridinyl)oxy]ethyl]-1,3-thiazole?
2-[(1R)-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-[(1R)-1-[(5-bromo-2-nitro-3-pyridinyl)oxy]ethyl]-1,3-thiazole is sourced from PubChem (CID 164859458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).