5-(2,6-dibromo-4-nitrophenoxy)-1H-pyridin-2-one

C11H6Br2N2O4 — CID 164850593

IUPAC5-(2,6-dibromo-4-nitrophenoxy)-1H-pyridin-2-one
SMILESO=c1ccc(Oc2c(Br)cc([N+](=O)[O-])cc2Br)c[nH]1
InChIInChI=1S/C11H6Br2N2O4/c12-8-3-6(15(17)18)4-9(13)11(8)19-7-1-2-10(16)14-5-7/h1-5H,(H,14,16)
InChIKeyMDFCNLMTFPRENL-UHFFFAOYSA-N
MW389.99 g/mol
LogP3.60
Rot. Bonds3

About 5-(2,6-dibromo-4-nitrophenoxy)-1H-pyridin-2-one

5-(2,6-dibromo-4-nitrophenoxy)-1H-pyridin-2-one (PubChem CID 164850593) has the molecular formula C11H6Br2N2O4 and a molecular weight of 389.99 g/mol. Its IUPAC name is 5-(2,6-dibromo-4-nitrophenoxy)-1H-pyridin-2-one.

Molecular Properties

Compound Name5-(2,6-dibromo-4-nitrophenoxy)-1H-pyridin-2-one
PubChem CID164850593
Molecular FormulaC11H6Br2N2O4
Molecular Weight389.99 g/mol
Exact Mass387.87
IUPAC Name5-(2,6-dibromo-4-nitrophenoxy)-1H-pyridin-2-one
SMILESO=c1ccc(Oc2c(Br)cc([N+](=O)[O-])cc2Br)c[nH]1
InChIInChI=1S/C11H6Br2N2O4/c12-8-3-6(15(17)18)4-9(13)11(8)19-7-1-2-10(16)14-5-7/h1-5H,(H,14,16)
InChIKeyMDFCNLMTFPRENL-UHFFFAOYSA-N
XLogP3.60
TPSA85.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.99
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(2,6-dibromo-4-nitrophenoxy)-3-propan-2-yl-1H-pyridin-2-one
CID 172799506
3,5-dibromo-4-(4-nitrophenoxy)phenol
CID 18448751
5-bromo-2-(2,6-dibromo-4-nitrophenoxy)pyridine
CID 62098836
5-(2,6-dibromo-4-nitrophenoxy)-N-methylpyridin-3-amine
CID 104536753
6-(2,6-dibromo-4-nitrophenoxy)pyridine-2-carboxylic acid
CID 62253740
2-chloro-6-(2,6-dibromo-4-nitrophenoxy)pyridine
CID 63587249
2-(3-bromo-4-fluorophenoxy)-1,3-dichloro-5-nitrobenzene
CID 106891272
2-(2,6-dibromo-4-nitrophenoxy)pyrimidine-4-carbonitrile
CID 107545902
2-bromo-6-(2,6-dibromo-4-nitrophenoxy)benzonitrile
CID 114881658
8-bromo-6-nitro-4-oxo-1H-quinoline-3-carboxylic acid
CID 4019070
5-amino-1H-pyridin-2-one;5-nitro-1H-pyridin-2-one
CID 158082863
1,3-dibromo-2-[5-chloro-2-(chloromethyl)phenoxy]-5-nitrobenzene
CID 114847088

Frequently Asked Questions

What is the IUPAC name of 5-(2,6-dibromo-4-nitrophenoxy)-1H-pyridin-2-one?
The IUPAC name of 5-(2,6-dibromo-4-nitrophenoxy)-1H-pyridin-2-one (CID 164850593) is 5-(2,6-dibromo-4-nitrophenoxy)-1H-pyridin-2-one.
What is the SMILES notation for 5-(2,6-dibromo-4-nitrophenoxy)-1H-pyridin-2-one?
The canonical SMILES for 5-(2,6-dibromo-4-nitrophenoxy)-1H-pyridin-2-one is O=c1ccc(Oc2c(Br)cc([N+](=O)[O-])cc2Br)c[nH]1.
What is the InChIKey of 5-(2,6-dibromo-4-nitrophenoxy)-1H-pyridin-2-one?
The InChIKey is MDFCNLMTFPRENL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6Br2N2O4/c12-8-3-6(15(17)18)4-9(13)11(8)19-7-1-2-10(16)14-5-7/h1-5H,(H,14,16).
What are the key properties of 5-(2,6-dibromo-4-nitrophenoxy)-1H-pyridin-2-one?
5-(2,6-dibromo-4-nitrophenoxy)-1H-pyridin-2-one has a molecular weight of 389.99 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,6-dibromo-4-nitrophenoxy)-1H-pyridin-2-one is sourced from PubChem (CID 164850593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).