potassium 4-bromo-2-formyl-6-nitrophenolate

C7H3BrKNO4 — CID 142770844

IUPACpotassium 4-bromo-2-formyl-6-nitrophenolate
SMILESO=Cc1cc(Br)cc([N+](=O)[O-])c1[O-].[K+]
InChIInChI=1S/C7H4BrNO4.K/c8-5-1-4(3-10)7(11)6(2-5)9(12)13;/h1-3,11H;/q;+1/p-1
InChIKeyBDUNPFAXJHVALV-UHFFFAOYSA-M
MW284.11 g/mol
LogP-1.75
Rot. Bonds2

About potassium 4-bromo-2-formyl-6-nitrophenolate

potassium 4-bromo-2-formyl-6-nitrophenolate (PubChem CID 142770844) has the molecular formula C7H3BrKNO4 and a molecular weight of 284.11 g/mol. Its IUPAC name is potassium 4-bromo-2-formyl-6-nitrophenolate.

Molecular Properties

Compound Namepotassium 4-bromo-2-formyl-6-nitrophenolate
PubChem CID142770844
Molecular FormulaC7H3BrKNO4
Molecular Weight284.11 g/mol
Exact Mass282.89
IUPAC Namepotassium 4-bromo-2-formyl-6-nitrophenolate
SMILESO=Cc1cc(Br)cc([N+](=O)[O-])c1[O-].[K+]
InChIInChI=1S/C7H4BrNO4.K/c8-5-1-4(3-10)7(11)6(2-5)9(12)13;/h1-3,11H;/q;+1/p-1
InChIKeyBDUNPFAXJHVALV-UHFFFAOYSA-M
XLogP-1.75
TPSA83.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.11
LogP ≤ 5-1.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', '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 potassium 4-bromo-2-formyl-6-nitrophenolate?
The IUPAC name of potassium 4-bromo-2-formyl-6-nitrophenolate (CID 142770844) is potassium 4-bromo-2-formyl-6-nitrophenolate.
What is the SMILES notation for potassium 4-bromo-2-formyl-6-nitrophenolate?
The canonical SMILES for potassium 4-bromo-2-formyl-6-nitrophenolate is O=Cc1cc(Br)cc([N+](=O)[O-])c1[O-].[K+].
What is the InChIKey of potassium 4-bromo-2-formyl-6-nitrophenolate?
The InChIKey is BDUNPFAXJHVALV-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H4BrNO4.K/c8-5-1-4(3-10)7(11)6(2-5)9(12)13;/h1-3,11H;/q;+1/p-1.
What are the key properties of potassium 4-bromo-2-formyl-6-nitrophenolate?
potassium 4-bromo-2-formyl-6-nitrophenolate has a molecular weight of 284.11 g/mol, XLogP of -1.75, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 4-bromo-2-formyl-6-nitrophenolate is sourced from PubChem (CID 142770844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).