3-(2-fluoro-6-nitrophenoxy)pyrazine-2-carboxylic acid

C11H6FN3O5 — CID 104832435

IUPAC3-(2-fluoro-6-nitrophenoxy)pyrazine-2-carboxylic acid
SMILESO=C(O)c1nccnc1Oc1c(F)cccc1[N+](=O)[O-]
InChIInChI=1S/C11H6FN3O5/c12-6-2-1-3-7(15(18)19)9(6)20-10-8(11(16)17)13-4-5-14-10/h1-5H,(H,16,17)
InChIKeyHNHABUSEXJNWMJ-UHFFFAOYSA-N
MW279.18 g/mol
LogP2.01
Rot. Bonds4

About 3-(2-fluoro-6-nitrophenoxy)pyrazine-2-carboxylic acid

3-(2-fluoro-6-nitrophenoxy)pyrazine-2-carboxylic acid (PubChem CID 104832435) has the molecular formula C11H6FN3O5 and a molecular weight of 279.18 g/mol. Its IUPAC name is 3-(2-fluoro-6-nitrophenoxy)pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name3-(2-fluoro-6-nitrophenoxy)pyrazine-2-carboxylic acid
PubChem CID104832435
Molecular FormulaC11H6FN3O5
Molecular Weight279.18 g/mol
Exact Mass279.03
IUPAC Name3-(2-fluoro-6-nitrophenoxy)pyrazine-2-carboxylic acid
SMILESO=C(O)c1nccnc1Oc1c(F)cccc1[N+](=O)[O-]
InChIInChI=1S/C11H6FN3O5/c12-6-2-1-3-7(15(18)19)9(6)20-10-8(11(16)17)13-4-5-14-10/h1-5H,(H,16,17)
InChIKeyHNHABUSEXJNWMJ-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

3-(2-fluoro-6-nitrophenoxy)pyridazine-4-carboxylic acid
CID 104832433
3-(5-fluoro-2-nitrophenoxy)pyrazine-2-carboxylic acid
CID 62701072
2-(2-fluoro-6-nitrophenoxy)-4-methylpyridine-3-carbonitrile
CID 104831698
3-(4-methyl-2-nitrophenoxy)pyrazine-2-carboxylic acid
CID 62702106
2-chloro-6-(2-fluoro-6-nitrophenoxy)benzoic acid
CID 104831894
3-chloro-2-(2-fluoro-6-nitrophenoxy)pyridine-4-carboximidamide
CID 107060656
2,3,5-trichloro-6-(2-fluoro-6-nitrophenoxy)pyridine
CID 102749797
3-chloro-2-(2-chloro-6-nitrophenoxy)pyridine-4-carboxylic acid
CID 107718864
4-chloro-5-(chloromethyl)-6-(2-fluoro-6-nitrophenoxy)pyrimidine
CID 107089174
(2-fluoro-6-nitrophenyl) methyl carbonate
CID 67247258
2-fluoro-6-nitrobenzoic acid
CID 603758
2-(2-fluoro-6-nitrophenoxy)pyrimidine-5-carbaldehyde
CID 104831877

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoro-6-nitrophenoxy)pyrazine-2-carboxylic acid?
The IUPAC name of 3-(2-fluoro-6-nitrophenoxy)pyrazine-2-carboxylic acid (CID 104832435) is 3-(2-fluoro-6-nitrophenoxy)pyrazine-2-carboxylic acid.
What is the SMILES notation for 3-(2-fluoro-6-nitrophenoxy)pyrazine-2-carboxylic acid?
The canonical SMILES for 3-(2-fluoro-6-nitrophenoxy)pyrazine-2-carboxylic acid is O=C(O)c1nccnc1Oc1c(F)cccc1[N+](=O)[O-].
What is the InChIKey of 3-(2-fluoro-6-nitrophenoxy)pyrazine-2-carboxylic acid?
The InChIKey is HNHABUSEXJNWMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6FN3O5/c12-6-2-1-3-7(15(18)19)9(6)20-10-8(11(16)17)13-4-5-14-10/h1-5H,(H,16,17).
What are the key properties of 3-(2-fluoro-6-nitrophenoxy)pyrazine-2-carboxylic acid?
3-(2-fluoro-6-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 3-(2-fluoro-6-nitrophenoxy)pyrazine-2-carboxylic acid is sourced from PubChem (CID 104832435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).