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

C14H11FN4O — CID 141266815

IUPAC3-fluoro-N-[[2-(1H-pyrazol-4-yl)-4-pyridinyl]oxy]aniline
SMILESFc1cccc(NOc2ccnc(-c3cn[nH]c3)c2)c1
InChIInChI=1S/C14H11FN4O/c15-11-2-1-3-12(6-11)19-20-13-4-5-16-14(7-13)10-8-17-18-9-10/h1-9,19H,(H,17,18)
InChIKeyHREQQLCPRCDMSP-UHFFFAOYSA-N
MW270.27 g/mol
LogP3.02
Rot. Bonds4

About 3-fluoro-N-[[2-(1H-pyrazol-4-yl)-4-pyridinyl]oxy]aniline

3-fluoro-N-[[2-(1H-pyrazol-4-yl)-4-pyridinyl]oxy]aniline (PubChem CID 141266815) has the molecular formula C14H11FN4O and a molecular weight of 270.27 g/mol. Its IUPAC name is 3-fluoro-N-[[2-(1H-pyrazol-4-yl)-4-pyridinyl]oxy]aniline.

Molecular Properties

Compound Name3-fluoro-N-[[2-(1H-pyrazol-4-yl)-4-pyridinyl]oxy]aniline
PubChem CID141266815
Molecular FormulaC14H11FN4O
Molecular Weight270.27 g/mol
Exact Mass270.09
IUPAC Name3-fluoro-N-[[2-(1H-pyrazol-4-yl)-4-pyridinyl]oxy]aniline
SMILESFc1cccc(NOc2ccnc(-c3cn[nH]c3)c2)c1
InChIInChI=1S/C14H11FN4O/c15-11-2-1-3-12(6-11)19-20-13-4-5-16-14(7-13)10-8-17-18-9-10/h1-9,19H,(H,17,18)
InChIKeyHREQQLCPRCDMSP-UHFFFAOYSA-N
XLogP3.02
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.27
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[[2-(1H-pyrazol-4-yl)-4-pyridinyl]oxy]aniline?
The IUPAC name of 3-fluoro-N-[[2-(1H-pyrazol-4-yl)-4-pyridinyl]oxy]aniline (CID 141266815) is 3-fluoro-N-[[2-(1H-pyrazol-4-yl)-4-pyridinyl]oxy]aniline.
What is the SMILES notation for 3-fluoro-N-[[2-(1H-pyrazol-4-yl)-4-pyridinyl]oxy]aniline?
The canonical SMILES for 3-fluoro-N-[[2-(1H-pyrazol-4-yl)-4-pyridinyl]oxy]aniline is Fc1cccc(NOc2ccnc(-c3cn[nH]c3)c2)c1.
What is the InChIKey of 3-fluoro-N-[[2-(1H-pyrazol-4-yl)-4-pyridinyl]oxy]aniline?
The InChIKey is HREQQLCPRCDMSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN4O/c15-11-2-1-3-12(6-11)19-20-13-4-5-16-14(7-13)10-8-17-18-9-10/h1-9,19H,(H,17,18).
What are the key properties of 3-fluoro-N-[[2-(1H-pyrazol-4-yl)-4-pyridinyl]oxy]aniline?
3-fluoro-N-[[2-(1H-pyrazol-4-yl)-4-pyridinyl]oxy]aniline has a molecular weight of 270.27 g/mol, XLogP of 3.02, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[[2-(1H-pyrazol-4-yl)-4-pyridinyl]oxy]aniline is sourced from PubChem (CID 141266815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).