4-(4-amino-3-fluorophenoxy)pyridin-1-ium-2-amine

C11H11FN3O+ — CID 7147087

IUPAC4-(4-amino-3-fluorophenoxy)pyridin-1-ium-2-amine
SMILESNc1cc(Oc2ccc(N)c(F)c2)cc[nH+]1
InChIInChI=1S/C11H10FN3O/c12-9-5-7(1-2-10(9)13)16-8-3-4-15-11(14)6-8/h1-6H,13H2,(H2,14,15)/p+1
InChIKeyHMADOSJIROHTPS-UHFFFAOYSA-O
MW220.23 g/mol
LogP1.60
Rot. Bonds2

About 4-(4-amino-3-fluorophenoxy)pyridin-1-ium-2-amine

4-(4-amino-3-fluorophenoxy)pyridin-1-ium-2-amine (PubChem CID 7147087) has the molecular formula C11H11FN3O+ and a molecular weight of 220.23 g/mol. Its IUPAC name is 4-(4-amino-3-fluorophenoxy)pyridin-1-ium-2-amine.

Molecular Properties

Compound Name4-(4-amino-3-fluorophenoxy)pyridin-1-ium-2-amine
PubChem CID7147087
Molecular FormulaC11H11FN3O+
Molecular Weight220.23 g/mol
Exact Mass220.09
IUPAC Name4-(4-amino-3-fluorophenoxy)pyridin-1-ium-2-amine
SMILESNc1cc(Oc2ccc(N)c(F)c2)cc[nH+]1
InChIInChI=1S/C11H10FN3O/c12-9-5-7(1-2-10(9)13)16-8-3-4-15-11(14)6-8/h1-6H,13H2,(H2,14,15)/p+1
InChIKeyHMADOSJIROHTPS-UHFFFAOYSA-O
XLogP1.60
TPSA75.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(4-amino-3-fluorophenoxy)pyridin-1-ium-2-amine?
The IUPAC name of 4-(4-amino-3-fluorophenoxy)pyridin-1-ium-2-amine (CID 7147087) is 4-(4-amino-3-fluorophenoxy)pyridin-1-ium-2-amine.
What is the SMILES notation for 4-(4-amino-3-fluorophenoxy)pyridin-1-ium-2-amine?
The canonical SMILES for 4-(4-amino-3-fluorophenoxy)pyridin-1-ium-2-amine is Nc1cc(Oc2ccc(N)c(F)c2)cc[nH+]1.
What is the InChIKey of 4-(4-amino-3-fluorophenoxy)pyridin-1-ium-2-amine?
The InChIKey is HMADOSJIROHTPS-UHFFFAOYSA-O. The full InChI is InChI=1S/C11H10FN3O/c12-9-5-7(1-2-10(9)13)16-8-3-4-15-11(14)6-8/h1-6H,13H2,(H2,14,15)/p+1.
What are the key properties of 4-(4-amino-3-fluorophenoxy)pyridin-1-ium-2-amine?
4-(4-amino-3-fluorophenoxy)pyridin-1-ium-2-amine has a molecular weight of 220.23 g/mol, XLogP of 1.60, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-amino-3-fluorophenoxy)pyridin-1-ium-2-amine is sourced from PubChem (CID 7147087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).