3-(2-fluoro-5-methyl-4-nitrophenoxy)pyrazine-2-carboximidamide

C12H10FN5O3 — CID 114416866

IUPAC3-(2-fluoro-5-methyl-4-nitrophenoxy)pyrazine-2-carboximidamide
SMILES[H]/N=C(\N)c1nccnc1Oc1cc(C)c([N+](=O)[O-])cc1F
InChIInChI=1S/C12H10FN5O3/c1-6-4-9(7(13)5-8(6)18(19)20)21-12-10(11(14)15)16-2-3-17-12/h2-5H,1H3,(H3,14,15)
InChIKeyRCODQQANOXHDDA-UHFFFAOYSA-N
MW291.24 g/mol
LogP1.91
Rot. Bonds4

About 3-(2-fluoro-5-methyl-4-nitrophenoxy)pyrazine-2-carboximidamide

3-(2-fluoro-5-methyl-4-nitrophenoxy)pyrazine-2-carboximidamide (PubChem CID 114416866) has the molecular formula C12H10FN5O3 and a molecular weight of 291.24 g/mol. Its IUPAC name is 3-(2-fluoro-5-methyl-4-nitrophenoxy)pyrazine-2-carboximidamide.

Molecular Properties

Compound Name3-(2-fluoro-5-methyl-4-nitrophenoxy)pyrazine-2-carboximidamide
PubChem CID114416866
Molecular FormulaC12H10FN5O3
Molecular Weight291.24 g/mol
Exact Mass291.08
IUPAC Name3-(2-fluoro-5-methyl-4-nitrophenoxy)pyrazine-2-carboximidamide
SMILES[H]/N=C(\N)c1nccnc1Oc1cc(C)c([N+](=O)[O-])cc1F
InChIInChI=1S/C12H10FN5O3/c1-6-4-9(7(13)5-8(6)18(19)20)21-12-10(11(14)15)16-2-3-17-12/h2-5H,1H3,(H3,14,15)
InChIKeyRCODQQANOXHDDA-UHFFFAOYSA-N
XLogP1.91
TPSA128.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.24
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(2,5-difluoro-4-nitrophenoxy)pyridine-3-carboximidamide
CID 63599016
2-(2,5-difluoro-4-nitrophenoxy)pyrimidine-4-carboximidamide
CID 107551129
6-(2-fluoro-5-methyl-4-nitrophenoxy)-5-methylpyridine-3-carbaldehyde
CID 114417002
3-(2-chloro-4-methylphenoxy)pyrazine-2-carboximidamide
CID 62684739
3-(3,5-dimethylphenoxy)pyrazine-2-carboximidamide
CID 62683368
4-(2-fluoro-5-methyl-4-nitrophenoxy)pyrimidin-2-amine
CID 114418383
3-(2-fluoro-5-methyl-4-nitrophenoxy)pyridazine-4-carbonitrile
CID 114416620
6-(2-fluoro-5-methyl-4-nitrophenoxy)-2,5-dimethylpyrimidin-4-amine
CID 114418468
6-(2-fluoro-5-methyl-4-nitrophenoxy)pyridine-3-carboxylic acid
CID 114416376
3-(2-chloro-5-methylphenoxy)pyrazine-2-carboximidamide
CID 62685074
3-(4-chloro-2-methyl-5-propan-2-ylphenoxy)pyrazine-2-carboximidamide
CID 62684568
3-(5-fluoro-2-nitrophenoxy)pyrazine-2-carboxylic acid
CID 62701072

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoro-5-methyl-4-nitrophenoxy)pyrazine-2-carboximidamide?
The IUPAC name of 3-(2-fluoro-5-methyl-4-nitrophenoxy)pyrazine-2-carboximidamide (CID 114416866) is 3-(2-fluoro-5-methyl-4-nitrophenoxy)pyrazine-2-carboximidamide.
What is the SMILES notation for 3-(2-fluoro-5-methyl-4-nitrophenoxy)pyrazine-2-carboximidamide?
The canonical SMILES for 3-(2-fluoro-5-methyl-4-nitrophenoxy)pyrazine-2-carboximidamide is [H]/N=C(\N)c1nccnc1Oc1cc(C)c([N+](=O)[O-])cc1F.
What is the InChIKey of 3-(2-fluoro-5-methyl-4-nitrophenoxy)pyrazine-2-carboximidamide?
The InChIKey is RCODQQANOXHDDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FN5O3/c1-6-4-9(7(13)5-8(6)18(19)20)21-12-10(11(14)15)16-2-3-17-12/h2-5H,1H3,(H3,14,15).
What are the key properties of 3-(2-fluoro-5-methyl-4-nitrophenoxy)pyrazine-2-carboximidamide?
3-(2-fluoro-5-methyl-4-nitrophenoxy)pyrazine-2-carboximidamide has a molecular weight of 291.24 g/mol, XLogP of 1.91, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoro-5-methyl-4-nitrophenoxy)pyrazine-2-carboximidamide is sourced from PubChem (CID 114416866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).