2-fluoro-6-pyrazol-1-ylaniline

C9H8FN3 — CID 50989643

IUPAC2-fluoro-6-pyrazol-1-ylaniline
SMILESNc1c(F)cccc1-n1cccn1
InChIInChI=1S/C9H8FN3/c10-7-3-1-4-8(9(7)11)13-6-2-5-12-13/h1-6H,11H2
InChIKeyWCPOPFRDQOQINR-UHFFFAOYSA-N
MW177.18 g/mol
LogP1.59
Rot. Bonds1

About 2-fluoro-6-pyrazol-1-ylaniline

2-fluoro-6-pyrazol-1-ylaniline (PubChem CID 50989643) has the molecular formula C9H8FN3 and a molecular weight of 177.18 g/mol. Its IUPAC name is 2-fluoro-6-pyrazol-1-ylaniline.

Molecular Properties

Compound Name2-fluoro-6-pyrazol-1-ylaniline
PubChem CID50989643
Molecular FormulaC9H8FN3
Molecular Weight177.18 g/mol
Exact Mass177.07
IUPAC Name2-fluoro-6-pyrazol-1-ylaniline
SMILESNc1c(F)cccc1-n1cccn1
InChIInChI=1S/C9H8FN3/c10-7-3-1-4-8(9(7)11)13-6-2-5-12-13/h1-6H,11H2
InChIKeyWCPOPFRDQOQINR-UHFFFAOYSA-N
XLogP1.59
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.18
LogP ≤ 51.59
H-Bond Donors ≤ 51
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 2-fluoro-6-pyrazol-1-ylaniline?
The IUPAC name of 2-fluoro-6-pyrazol-1-ylaniline (CID 50989643) is 2-fluoro-6-pyrazol-1-ylaniline.
What is the SMILES notation for 2-fluoro-6-pyrazol-1-ylaniline?
The canonical SMILES for 2-fluoro-6-pyrazol-1-ylaniline is Nc1c(F)cccc1-n1cccn1.
What is the InChIKey of 2-fluoro-6-pyrazol-1-ylaniline?
The InChIKey is WCPOPFRDQOQINR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8FN3/c10-7-3-1-4-8(9(7)11)13-6-2-5-12-13/h1-6H,11H2.
What are the key properties of 2-fluoro-6-pyrazol-1-ylaniline?
2-fluoro-6-pyrazol-1-ylaniline has a molecular weight of 177.18 g/mol, XLogP of 1.59, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-pyrazol-1-ylaniline is sourced from PubChem (CID 50989643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).