2-(3-fluorophenyl)-3-nitropyridin-4-amine

C11H8FN3O2 — CID 67692672

IUPAC2-(3-fluorophenyl)-3-nitropyridin-4-amine
SMILESNc1ccnc(-c2cccc(F)c2)c1[N+](=O)[O-]
InChIInChI=1S/C11H8FN3O2/c12-8-3-1-2-7(6-8)10-11(15(16)17)9(13)4-5-14-10/h1-6H,(H2,13,14)
InChIKeyXKHZZRYBOROERI-UHFFFAOYSA-N
MW233.20 g/mol
LogP2.38
Rot. Bonds2

About 2-(3-fluorophenyl)-3-nitropyridin-4-amine

2-(3-fluorophenyl)-3-nitropyridin-4-amine (PubChem CID 67692672) has the molecular formula C11H8FN3O2 and a molecular weight of 233.20 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-3-nitropyridin-4-amine.

Molecular Properties

Compound Name2-(3-fluorophenyl)-3-nitropyridin-4-amine
PubChem CID67692672
Molecular FormulaC11H8FN3O2
Molecular Weight233.20 g/mol
Exact Mass233.06
IUPAC Name2-(3-fluorophenyl)-3-nitropyridin-4-amine
SMILESNc1ccnc(-c2cccc(F)c2)c1[N+](=O)[O-]
InChIInChI=1S/C11H8FN3O2/c12-8-3-1-2-7(6-8)10-11(15(16)17)9(13)4-5-14-10/h1-6H,(H2,13,14)
InChIKeyXKHZZRYBOROERI-UHFFFAOYSA-N
XLogP2.38
TPSA82.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.20
LogP ≤ 52.38
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 2-(3-fluorophenyl)-3-nitropyridin-4-amine?
The IUPAC name of 2-(3-fluorophenyl)-3-nitropyridin-4-amine (CID 67692672) is 2-(3-fluorophenyl)-3-nitropyridin-4-amine.
What is the SMILES notation for 2-(3-fluorophenyl)-3-nitropyridin-4-amine?
The canonical SMILES for 2-(3-fluorophenyl)-3-nitropyridin-4-amine is Nc1ccnc(-c2cccc(F)c2)c1[N+](=O)[O-].
What is the InChIKey of 2-(3-fluorophenyl)-3-nitropyridin-4-amine?
The InChIKey is XKHZZRYBOROERI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8FN3O2/c12-8-3-1-2-7(6-8)10-11(15(16)17)9(13)4-5-14-10/h1-6H,(H2,13,14).
What are the key properties of 2-(3-fluorophenyl)-3-nitropyridin-4-amine?
2-(3-fluorophenyl)-3-nitropyridin-4-amine has a molecular weight of 233.20 g/mol, XLogP of 2.38, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-3-nitropyridin-4-amine is sourced from PubChem (CID 67692672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).