6-(5-fluoro-2-nitrophenoxy)-N-propylpyrazin-2-amine

C13H13FN4O3 — CID 80875626

IUPAC6-(5-fluoro-2-nitrophenoxy)-N-propylpyrazin-2-amine
SMILESCCCNc1cncc(Oc2cc(F)ccc2[N+](=O)[O-])n1
InChIInChI=1S/C13H13FN4O3/c1-2-5-16-12-7-15-8-13(17-12)21-11-6-9(14)3-4-10(11)18(19)20/h3-4,6-8H,2,5H2,1H3,(H,16,17)
InChIKeyFYGKBLMCGLLLNR-UHFFFAOYSA-N
MW292.27 g/mol
LogP3.14
Rot. Bonds6

About 6-(5-fluoro-2-nitrophenoxy)-N-propylpyrazin-2-amine

6-(5-fluoro-2-nitrophenoxy)-N-propylpyrazin-2-amine (PubChem CID 80875626) has the molecular formula C13H13FN4O3 and a molecular weight of 292.27 g/mol. Its IUPAC name is 6-(5-fluoro-2-nitrophenoxy)-N-propylpyrazin-2-amine.

Molecular Properties

Compound Name6-(5-fluoro-2-nitrophenoxy)-N-propylpyrazin-2-amine
PubChem CID80875626
Molecular FormulaC13H13FN4O3
Molecular Weight292.27 g/mol
Exact Mass292.10
IUPAC Name6-(5-fluoro-2-nitrophenoxy)-N-propylpyrazin-2-amine
SMILESCCCNc1cncc(Oc2cc(F)ccc2[N+](=O)[O-])n1
InChIInChI=1S/C13H13FN4O3/c1-2-5-16-12-7-15-8-13(17-12)21-11-6-9(14)3-4-10(11)18(19)20/h3-4,6-8H,2,5H2,1H3,(H,16,17)
InChIKeyFYGKBLMCGLLLNR-UHFFFAOYSA-N
XLogP3.14
TPSA90.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.27
LogP ≤ 53.14
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-(5-fluoro-2-nitrophenoxy)pyrazine-2-carboxylic acid
CID 66458082
6-(3-chloro-2-fluorophenoxy)-N-propylpyrazin-2-amine
CID 116691218
6-(2-ethylphenoxy)-N-propylpyrazin-2-amine
CID 80875740
[6-(5-methyl-2-nitrophenoxy)pyrazin-2-yl]hydrazine
CID 80920526
6-(2-methoxyphenoxy)-N-propylpyrazin-2-amine
CID 80869118
N-ethyl-6-(4-ethyl-2-nitrophenoxy)pyrazin-2-amine
CID 80871590
N-ethyl-6-(4-methoxy-2-nitrophenoxy)pyrazin-2-amine
CID 78989587
N-ethyl-6-(3-methyl-4-nitrophenoxy)pyrazin-2-amine
CID 80870463
5-fluoro-2-nitro-N-propylaniline
CID 50987928
6-(2-nitrophenoxy)-N-propylpyrimidin-4-amine
CID 80875228
6-(2,6-dimethoxyphenoxy)-N-propylpyrazin-2-amine
CID 80865135
1-[6-(5-fluoro-2-nitrophenoxy)-3-pyridinyl]-N-methylmethanamine
CID 80633902

Frequently Asked Questions

What is the IUPAC name of 6-(5-fluoro-2-nitrophenoxy)-N-propylpyrazin-2-amine?
The IUPAC name of 6-(5-fluoro-2-nitrophenoxy)-N-propylpyrazin-2-amine (CID 80875626) is 6-(5-fluoro-2-nitrophenoxy)-N-propylpyrazin-2-amine.
What is the SMILES notation for 6-(5-fluoro-2-nitrophenoxy)-N-propylpyrazin-2-amine?
The canonical SMILES for 6-(5-fluoro-2-nitrophenoxy)-N-propylpyrazin-2-amine is CCCNc1cncc(Oc2cc(F)ccc2[N+](=O)[O-])n1.
What is the InChIKey of 6-(5-fluoro-2-nitrophenoxy)-N-propylpyrazin-2-amine?
The InChIKey is FYGKBLMCGLLLNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN4O3/c1-2-5-16-12-7-15-8-13(17-12)21-11-6-9(14)3-4-10(11)18(19)20/h3-4,6-8H,2,5H2,1H3,(H,16,17).
What are the key properties of 6-(5-fluoro-2-nitrophenoxy)-N-propylpyrazin-2-amine?
6-(5-fluoro-2-nitrophenoxy)-N-propylpyrazin-2-amine has a molecular weight of 292.27 g/mol, XLogP of 3.14, 6 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)-N-propylpyrazin-2-amine is sourced from PubChem (CID 80875626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).