6-(5-fluoro-2-nitrophenoxy)pyrazine-2-carboxylic acid

C11H6FN3O5 — CID 66458082

IUPAC6-(5-fluoro-2-nitrophenoxy)pyrazine-2-carboxylic acid
SMILESO=C(O)c1cncc(Oc2cc(F)ccc2[N+](=O)[O-])n1
InChIInChI=1S/C11H6FN3O5/c12-6-1-2-8(15(18)19)9(3-6)20-10-5-13-4-7(14-10)11(16)17/h1-5H,(H,16,17)
InChIKeyZMBGAAOXLYCLSE-UHFFFAOYSA-N
MW279.18 g/mol
LogP2.01
Rot. Bonds4

About 6-(5-fluoro-2-nitrophenoxy)pyrazine-2-carboxylic acid

6-(5-fluoro-2-nitrophenoxy)pyrazine-2-carboxylic acid (PubChem CID 66458082) has the molecular formula C11H6FN3O5 and a molecular weight of 279.18 g/mol. Its IUPAC name is 6-(5-fluoro-2-nitrophenoxy)pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name6-(5-fluoro-2-nitrophenoxy)pyrazine-2-carboxylic acid
PubChem CID66458082
Molecular FormulaC11H6FN3O5
Molecular Weight279.18 g/mol
Exact Mass279.03
IUPAC Name6-(5-fluoro-2-nitrophenoxy)pyrazine-2-carboxylic acid
SMILESO=C(O)c1cncc(Oc2cc(F)ccc2[N+](=O)[O-])n1
InChIInChI=1S/C11H6FN3O5/c12-6-1-2-8(15(18)19)9(3-6)20-10-5-13-4-7(14-10)11(16)17/h1-5H,(H,16,17)
InChIKeyZMBGAAOXLYCLSE-UHFFFAOYSA-N
XLogP2.01
TPSA115.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.18
LogP ≤ 52.01
H-Bond Donors ≤ 51
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

6-(4-methyl-2-nitrophenoxy)pyrazine-2-carboxylic acid
CID 66455721
6-(4-bromo-2-nitrophenoxy)pyrazine-2-carboxylic acid
CID 66457113
6-(3-chloro-4-nitrophenoxy)pyrazine-2-carboxylic acid
CID 66458284
6-(5-fluoro-2-nitrophenoxy)-N-propylpyrazin-2-amine
CID 80875626
6-(5-fluoro-2-nitrophenoxy)pyridine-2-carboximidamide
CID 64593831
3-(5-fluoro-2-nitrophenoxy)pyrazine-2-carboxylic acid
CID 62701072
5-(5-fluoro-2-nitrophenoxy)pyrazin-2-amine
CID 80663467
(5-fluoro-2-nitrophenyl) pyrazine-2-carboxylate
CID 52893814
5-(5-fluoro-2-nitrophenoxy)furan-2-carboxylic acid
CID 55049940
3-fluoro-2-(5-fluoro-2-nitrophenoxy)pyridine-4-carboxylic acid
CID 105380022
3-chloro-6-(5-fluoro-2-nitrophenoxy)pyridazine
CID 60674957
3-chloro-4-(5-fluoro-2-nitrophenoxy)benzoic acid
CID 62378183

Frequently Asked Questions

What is the IUPAC name of 6-(5-fluoro-2-nitrophenoxy)pyrazine-2-carboxylic acid?
The IUPAC name of 6-(5-fluoro-2-nitrophenoxy)pyrazine-2-carboxylic acid (CID 66458082) is 6-(5-fluoro-2-nitrophenoxy)pyrazine-2-carboxylic acid.
What is the SMILES notation for 6-(5-fluoro-2-nitrophenoxy)pyrazine-2-carboxylic acid?
The canonical SMILES for 6-(5-fluoro-2-nitrophenoxy)pyrazine-2-carboxylic acid is O=C(O)c1cncc(Oc2cc(F)ccc2[N+](=O)[O-])n1.
What is the InChIKey of 6-(5-fluoro-2-nitrophenoxy)pyrazine-2-carboxylic acid?
The InChIKey is ZMBGAAOXLYCLSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6FN3O5/c12-6-1-2-8(15(18)19)9(3-6)20-10-5-13-4-7(14-10)11(16)17/h1-5H,(H,16,17).
What are the key properties of 6-(5-fluoro-2-nitrophenoxy)pyrazine-2-carboxylic acid?
6-(5-fluoro-2-nitrophenoxy)pyrazine-2-carboxylic acid has a molecular weight of 279.18 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-fluoro-2-nitrophenoxy)pyrazine-2-carboxylic acid is sourced from PubChem (CID 66458082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).