2-fluoro-5-pyrimidin-5-ylaniline

C10H8FN3 — CID 165490081

IUPAC2-fluoro-5-pyrimidin-5-ylaniline
SMILESNc1cc(-c2cncnc2)ccc1F
InChIInChI=1S/C10H8FN3/c11-9-2-1-7(3-10(9)12)8-4-13-6-14-5-8/h1-6H,12H2
InChIKeyNQIWGTGINPPOCF-UHFFFAOYSA-N
MW189.19 g/mol
LogP1.86
Rot. Bonds1

About 2-fluoro-5-pyrimidin-5-ylaniline

2-fluoro-5-pyrimidin-5-ylaniline (PubChem CID 165490081) has the molecular formula C10H8FN3 and a molecular weight of 189.19 g/mol. Its IUPAC name is 2-fluoro-5-pyrimidin-5-ylaniline.

Molecular Properties

Compound Name2-fluoro-5-pyrimidin-5-ylaniline
PubChem CID165490081
Molecular FormulaC10H8FN3
Molecular Weight189.19 g/mol
Exact Mass189.07
IUPAC Name2-fluoro-5-pyrimidin-5-ylaniline
SMILESNc1cc(-c2cncnc2)ccc1F
InChIInChI=1S/C10H8FN3/c11-9-2-1-7(3-10(9)12)8-4-13-6-14-5-8/h1-6H,12H2
InChIKeyNQIWGTGINPPOCF-UHFFFAOYSA-N
XLogP1.86
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.19
LogP ≤ 51.86
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-5-pyrimidin-5-ylaniline?
The IUPAC name of 2-fluoro-5-pyrimidin-5-ylaniline (CID 165490081) is 2-fluoro-5-pyrimidin-5-ylaniline.
What is the SMILES notation for 2-fluoro-5-pyrimidin-5-ylaniline?
The canonical SMILES for 2-fluoro-5-pyrimidin-5-ylaniline is Nc1cc(-c2cncnc2)ccc1F.
What is the InChIKey of 2-fluoro-5-pyrimidin-5-ylaniline?
The InChIKey is NQIWGTGINPPOCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8FN3/c11-9-2-1-7(3-10(9)12)8-4-13-6-14-5-8/h1-6H,12H2.
What are the key properties of 2-fluoro-5-pyrimidin-5-ylaniline?
2-fluoro-5-pyrimidin-5-ylaniline has a molecular weight of 189.19 g/mol, XLogP of 1.86, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-pyrimidin-5-ylaniline is sourced from PubChem (CID 165490081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).