5-(6-bromo-3-pyridinyl)-5-methyl-3-(4-nitroanilino)-1,3-oxazolidine-2,4-dione

C15H11BrN4O5 — CID 56662715

IUPAC5-(6-bromo-3-pyridinyl)-5-methyl-3-(4-nitroanilino)-1,3-oxazolidine-2,4-dione
SMILESCC1(c2ccc(Br)nc2)OC(=O)N(Nc2ccc([N+](=O)[O-])cc2)C1=O
InChIInChI=1S/C15H11BrN4O5/c1-15(9-2-7-12(16)17-8-9)13(21)19(14(22)25-15)18-10-3-5-11(6-4-10)20(23)24/h2-8,18H,1H3
InChIKeyXYDMUAPIDBUDKV-UHFFFAOYSA-N
MW407.18 g/mol
LogP2.97
Rot. Bonds4

About 5-(6-bromo-3-pyridinyl)-5-methyl-3-(4-nitroanilino)-1,3-oxazolidine-2,4-dione

5-(6-bromo-3-pyridinyl)-5-methyl-3-(4-nitroanilino)-1,3-oxazolidine-2,4-dione (PubChem CID 56662715) has the molecular formula C15H11BrN4O5 and a molecular weight of 407.18 g/mol. Its IUPAC name is 5-(6-bromo-3-pyridinyl)-5-methyl-3-(4-nitroanilino)-1,3-oxazolidine-2,4-dione.

Molecular Properties

Compound Name5-(6-bromo-3-pyridinyl)-5-methyl-3-(4-nitroanilino)-1,3-oxazolidine-2,4-dione
PubChem CID56662715
Molecular FormulaC15H11BrN4O5
Molecular Weight407.18 g/mol
Exact Mass405.99
IUPAC Name5-(6-bromo-3-pyridinyl)-5-methyl-3-(4-nitroanilino)-1,3-oxazolidine-2,4-dione
SMILESCC1(c2ccc(Br)nc2)OC(=O)N(Nc2ccc([N+](=O)[O-])cc2)C1=O
InChIInChI=1S/C15H11BrN4O5/c1-15(9-2-7-12(16)17-8-9)13(21)19(14(22)25-15)18-10-3-5-11(6-4-10)20(23)24/h2-8,18H,1H3
InChIKeyXYDMUAPIDBUDKV-UHFFFAOYSA-N
XLogP2.97
TPSA114.67 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.18
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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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Frequently Asked Questions

What is the IUPAC name of 5-(6-bromo-3-pyridinyl)-5-methyl-3-(4-nitroanilino)-1,3-oxazolidine-2,4-dione?
The IUPAC name of 5-(6-bromo-3-pyridinyl)-5-methyl-3-(4-nitroanilino)-1,3-oxazolidine-2,4-dione (CID 56662715) is 5-(6-bromo-3-pyridinyl)-5-methyl-3-(4-nitroanilino)-1,3-oxazolidine-2,4-dione.
What is the SMILES notation for 5-(6-bromo-3-pyridinyl)-5-methyl-3-(4-nitroanilino)-1,3-oxazolidine-2,4-dione?
The canonical SMILES for 5-(6-bromo-3-pyridinyl)-5-methyl-3-(4-nitroanilino)-1,3-oxazolidine-2,4-dione is CC1(c2ccc(Br)nc2)OC(=O)N(Nc2ccc([N+](=O)[O-])cc2)C1=O.
What is the InChIKey of 5-(6-bromo-3-pyridinyl)-5-methyl-3-(4-nitroanilino)-1,3-oxazolidine-2,4-dione?
The InChIKey is XYDMUAPIDBUDKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrN4O5/c1-15(9-2-7-12(16)17-8-9)13(21)19(14(22)25-15)18-10-3-5-11(6-4-10)20(23)24/h2-8,18H,1H3.
What are the key properties of 5-(6-bromo-3-pyridinyl)-5-methyl-3-(4-nitroanilino)-1,3-oxazolidine-2,4-dione?
5-(6-bromo-3-pyridinyl)-5-methyl-3-(4-nitroanilino)-1,3-oxazolidine-2,4-dione has a molecular weight of 407.18 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-bromo-3-pyridinyl)-5-methyl-3-(4-nitroanilino)-1,3-oxazolidine-2,4-dione is sourced from PubChem (CID 56662715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).