2-fluoro-4-[(2-pyrazol-1-yl-4-pyridinyl)oxy]aniline

C14H11FN4O — CID 59825594

IUPAC2-fluoro-4-[(2-pyrazol-1-yl-4-pyridinyl)oxy]aniline
SMILESNc1ccc(Oc2ccnc(-n3cccn3)c2)cc1F
InChIInChI=1S/C14H11FN4O/c15-12-8-10(2-3-13(12)16)20-11-4-6-17-14(9-11)19-7-1-5-18-19/h1-9H,16H2
InChIKeyUBHPGLCLBWUFHW-UHFFFAOYSA-N
MW270.27 g/mol
LogP2.78
Rot. Bonds3

About 2-fluoro-4-[(2-pyrazol-1-yl-4-pyridinyl)oxy]aniline

2-fluoro-4-[(2-pyrazol-1-yl-4-pyridinyl)oxy]aniline (PubChem CID 59825594) has the molecular formula C14H11FN4O and a molecular weight of 270.27 g/mol. Its IUPAC name is 2-fluoro-4-[(2-pyrazol-1-yl-4-pyridinyl)oxy]aniline.

Molecular Properties

Compound Name2-fluoro-4-[(2-pyrazol-1-yl-4-pyridinyl)oxy]aniline
PubChem CID59825594
Molecular FormulaC14H11FN4O
Molecular Weight270.27 g/mol
Exact Mass270.09
IUPAC Name2-fluoro-4-[(2-pyrazol-1-yl-4-pyridinyl)oxy]aniline
SMILESNc1ccc(Oc2ccnc(-n3cccn3)c2)cc1F
InChIInChI=1S/C14H11FN4O/c15-12-8-10(2-3-13(12)16)20-11-4-6-17-14(9-11)19-7-1-5-18-19/h1-9H,16H2
InChIKeyUBHPGLCLBWUFHW-UHFFFAOYSA-N
XLogP2.78
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.27
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-[(2-pyrazol-1-yl-4-pyridinyl)oxy]aniline?
The IUPAC name of 2-fluoro-4-[(2-pyrazol-1-yl-4-pyridinyl)oxy]aniline (CID 59825594) is 2-fluoro-4-[(2-pyrazol-1-yl-4-pyridinyl)oxy]aniline.
What is the SMILES notation for 2-fluoro-4-[(2-pyrazol-1-yl-4-pyridinyl)oxy]aniline?
The canonical SMILES for 2-fluoro-4-[(2-pyrazol-1-yl-4-pyridinyl)oxy]aniline is Nc1ccc(Oc2ccnc(-n3cccn3)c2)cc1F.
What is the InChIKey of 2-fluoro-4-[(2-pyrazol-1-yl-4-pyridinyl)oxy]aniline?
The InChIKey is UBHPGLCLBWUFHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN4O/c15-12-8-10(2-3-13(12)16)20-11-4-6-17-14(9-11)19-7-1-5-18-19/h1-9H,16H2.
What are the key properties of 2-fluoro-4-[(2-pyrazol-1-yl-4-pyridinyl)oxy]aniline?
2-fluoro-4-[(2-pyrazol-1-yl-4-pyridinyl)oxy]aniline has a molecular weight of 270.27 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-[(2-pyrazol-1-yl-4-pyridinyl)oxy]aniline is sourced from PubChem (CID 59825594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).