N-(4-fluorophenyl)-3-nitropyridin-4-amine

C11H8FN3O2 — CID 4053416

IUPACN-(4-fluorophenyl)-3-nitropyridin-4-amine
SMILESO=[N+]([O-])c1cnccc1Nc1ccc(F)cc1
InChIInChI=1S/C11H8FN3O2/c12-8-1-3-9(4-2-8)14-10-5-6-13-7-11(10)15(16)17/h1-7H,(H,13,14)
InChIKeyPREAJFLGPFZDCQ-UHFFFAOYSA-N
MW233.20 g/mol
LogP2.87
Rot. Bonds3

About N-(4-fluorophenyl)-3-nitropyridin-4-amine

N-(4-fluorophenyl)-3-nitropyridin-4-amine (PubChem CID 4053416) has the molecular formula C11H8FN3O2 and a molecular weight of 233.20 g/mol. Its IUPAC name is N-(4-fluorophenyl)-3-nitropyridin-4-amine.

Molecular Properties

Compound NameN-(4-fluorophenyl)-3-nitropyridin-4-amine
PubChem CID4053416
Molecular FormulaC11H8FN3O2
Molecular Weight233.20 g/mol
Exact Mass233.06
IUPAC NameN-(4-fluorophenyl)-3-nitropyridin-4-amine
SMILESO=[N+]([O-])c1cnccc1Nc1ccc(F)cc1
InChIInChI=1S/C11H8FN3O2/c12-8-1-3-9(4-2-8)14-10-5-6-13-7-11(10)15(16)17/h1-7H,(H,13,14)
InChIKeyPREAJFLGPFZDCQ-UHFFFAOYSA-N
XLogP2.87
TPSA68.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.20
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-3-nitropyridin-4-amine?
The IUPAC name of N-(4-fluorophenyl)-3-nitropyridin-4-amine (CID 4053416) is N-(4-fluorophenyl)-3-nitropyridin-4-amine.
What is the SMILES notation for N-(4-fluorophenyl)-3-nitropyridin-4-amine?
The canonical SMILES for N-(4-fluorophenyl)-3-nitropyridin-4-amine is O=[N+]([O-])c1cnccc1Nc1ccc(F)cc1.
What is the InChIKey of N-(4-fluorophenyl)-3-nitropyridin-4-amine?
The InChIKey is PREAJFLGPFZDCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8FN3O2/c12-8-1-3-9(4-2-8)14-10-5-6-13-7-11(10)15(16)17/h1-7H,(H,13,14).
What are the key properties of N-(4-fluorophenyl)-3-nitropyridin-4-amine?
N-(4-fluorophenyl)-3-nitropyridin-4-amine has a molecular weight of 233.20 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-3-nitropyridin-4-amine is sourced from PubChem (CID 4053416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).