6-(5-fluoro-2-nitrophenoxy)pyridine-2-carboximidamide

C12H9FN4O3 — CID 64593831

IUPAC6-(5-fluoro-2-nitrophenoxy)pyridine-2-carboximidamide
SMILES[H]/N=C(\N)c1cccc(Oc2cc(F)ccc2[N+](=O)[O-])n1
InChIInChI=1S/C12H9FN4O3/c13-7-4-5-9(17(18)19)10(6-7)20-11-3-1-2-8(16-11)12(14)15/h1-6H,(H3,14,15)
InChIKeyIGQDESWDWHQOSY-UHFFFAOYSA-N
MW276.23 g/mol
LogP2.21
Rot. Bonds4

About 6-(5-fluoro-2-nitrophenoxy)pyridine-2-carboximidamide

6-(5-fluoro-2-nitrophenoxy)pyridine-2-carboximidamide (PubChem CID 64593831) has the molecular formula C12H9FN4O3 and a molecular weight of 276.23 g/mol. Its IUPAC name is 6-(5-fluoro-2-nitrophenoxy)pyridine-2-carboximidamide.

Molecular Properties

Compound Name6-(5-fluoro-2-nitrophenoxy)pyridine-2-carboximidamide
PubChem CID64593831
Molecular FormulaC12H9FN4O3
Molecular Weight276.23 g/mol
Exact Mass276.07
IUPAC Name6-(5-fluoro-2-nitrophenoxy)pyridine-2-carboximidamide
SMILES[H]/N=C(\N)c1cccc(Oc2cc(F)ccc2[N+](=O)[O-])n1
InChIInChI=1S/C12H9FN4O3/c13-7-4-5-9(17(18)19)10(6-7)20-11-3-1-2-8(16-11)12(14)15/h1-6H,(H3,14,15)
InChIKeyIGQDESWDWHQOSY-UHFFFAOYSA-N
XLogP2.21
TPSA115.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.23
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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'}

Analyze 6-(5-fluoro-2-nitrophenoxy)pyridine-2-carboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(3-nitrophenoxy)pyridine-2-carboximidamide
CID 64593431
6-(5-fluoro-2-nitrophenoxy)pyrazine-2-carboxylic acid
CID 66458082
6-(2,6-dimethoxyphenoxy)pyridine-2-carboximidamide
CID 64596167
6-(2-propan-2-ylphenoxy)pyridine-2-carboximidamide
CID 64595176
3-chloro-6-(5-fluoro-2-nitrophenoxy)pyridazine
CID 60674957
4-fluoro-2-nitrobenzenecarboximidamide
CID 53404311
2-(2-bromo-6-nitrophenoxy)-5-fluorobenzenecarboximidamide
CID 81495763
5-(5-fluoro-2-nitrophenoxy)pyrazin-2-amine
CID 80663467
[6-(5-fluoro-2-nitrophenoxy)pyrimidin-4-yl]hydrazine
CID 80920512
[6-(4-fluoro-2-nitrophenoxy)-2-pyridinyl]hydrazine
CID 80931175
2-(2,5-difluoro-4-nitrophenoxy)pyrimidine-4-carboximidamide
CID 107551129
6-(2-nitrophenoxy)pyridine-3-carboximidamide
CID 54915069

Frequently Asked Questions

What is the IUPAC name of 6-(5-fluoro-2-nitrophenoxy)pyridine-2-carboximidamide?
The IUPAC name of 6-(5-fluoro-2-nitrophenoxy)pyridine-2-carboximidamide (CID 64593831) is 6-(5-fluoro-2-nitrophenoxy)pyridine-2-carboximidamide.
What is the SMILES notation for 6-(5-fluoro-2-nitrophenoxy)pyridine-2-carboximidamide?
The canonical SMILES for 6-(5-fluoro-2-nitrophenoxy)pyridine-2-carboximidamide is [H]/N=C(\N)c1cccc(Oc2cc(F)ccc2[N+](=O)[O-])n1.
What is the InChIKey of 6-(5-fluoro-2-nitrophenoxy)pyridine-2-carboximidamide?
The InChIKey is IGQDESWDWHQOSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9FN4O3/c13-7-4-5-9(17(18)19)10(6-7)20-11-3-1-2-8(16-11)12(14)15/h1-6H,(H3,14,15).
What are the key properties of 6-(5-fluoro-2-nitrophenoxy)pyridine-2-carboximidamide?
6-(5-fluoro-2-nitrophenoxy)pyridine-2-carboximidamide has a molecular weight of 276.23 g/mol, XLogP of 2.21, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-fluoro-2-nitrophenoxy)pyridine-2-carboximidamide is sourced from PubChem (CID 64593831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).