2-(2-fluoro-6-nitrophenoxy)-N'-hydroxypyrimidine-4-carboximidamide

C11H8FN5O4 — CID 136907441

IUPAC2-(2-fluoro-6-nitrophenoxy)-N'-hydroxypyrimidine-4-carboximidamide
SMILESN/C(=N/O)c1ccnc(Oc2c(F)cccc2[N+](=O)[O-])n1
InChIInChI=1S/C11H8FN5O4/c12-6-2-1-3-8(17(19)20)9(6)21-11-14-5-4-7(15-11)10(13)16-18/h1-5,18H,(H2,13,16)
InChIKeyRZIKYYJXCHNFPG-UHFFFAOYSA-N
MW293.21 g/mol
LogP1.41
Rot. Bonds4

About 2-(2-fluoro-6-nitrophenoxy)-N'-hydroxypyrimidine-4-carboximidamide

2-(2-fluoro-6-nitrophenoxy)-N'-hydroxypyrimidine-4-carboximidamide (PubChem CID 136907441) has the molecular formula C11H8FN5O4 and a molecular weight of 293.21 g/mol. Its IUPAC name is 2-(2-fluoro-6-nitrophenoxy)-N'-hydroxypyrimidine-4-carboximidamide.

Molecular Properties

Compound Name2-(2-fluoro-6-nitrophenoxy)-N'-hydroxypyrimidine-4-carboximidamide
PubChem CID136907441
Molecular FormulaC11H8FN5O4
Molecular Weight293.21 g/mol
Exact Mass293.06
IUPAC Name2-(2-fluoro-6-nitrophenoxy)-N'-hydroxypyrimidine-4-carboximidamide
SMILESN/C(=N/O)c1ccnc(Oc2c(F)cccc2[N+](=O)[O-])n1
InChIInChI=1S/C11H8FN5O4/c12-6-2-1-3-8(17(19)20)9(6)21-11-14-5-4-7(15-11)10(13)16-18/h1-5,18H,(H2,13,16)
InChIKeyRZIKYYJXCHNFPG-UHFFFAOYSA-N
XLogP1.41
TPSA136.76 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.21
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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': 'oxime_1', '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 2-(2-fluoro-6-nitrophenoxy)-N'-hydroxypyrimidine-4-carboximidamide?
The IUPAC name of 2-(2-fluoro-6-nitrophenoxy)-N'-hydroxypyrimidine-4-carboximidamide (CID 136907441) is 2-(2-fluoro-6-nitrophenoxy)-N'-hydroxypyrimidine-4-carboximidamide.
What is the SMILES notation for 2-(2-fluoro-6-nitrophenoxy)-N'-hydroxypyrimidine-4-carboximidamide?
The canonical SMILES for 2-(2-fluoro-6-nitrophenoxy)-N'-hydroxypyrimidine-4-carboximidamide is N/C(=N/O)c1ccnc(Oc2c(F)cccc2[N+](=O)[O-])n1.
What is the InChIKey of 2-(2-fluoro-6-nitrophenoxy)-N'-hydroxypyrimidine-4-carboximidamide?
The InChIKey is RZIKYYJXCHNFPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8FN5O4/c12-6-2-1-3-8(17(19)20)9(6)21-11-14-5-4-7(15-11)10(13)16-18/h1-5,18H,(H2,13,16).
What are the key properties of 2-(2-fluoro-6-nitrophenoxy)-N'-hydroxypyrimidine-4-carboximidamide?
2-(2-fluoro-6-nitrophenoxy)-N'-hydroxypyrimidine-4-carboximidamide has a molecular weight of 293.21 g/mol, XLogP of 1.41, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-6-nitrophenoxy)-N'-hydroxypyrimidine-4-carboximidamide is sourced from PubChem (CID 136907441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).