4-chloro-3-(5-fluoropyrimidin-2-yl)oxyaniline

C10H7ClFN3O — CID 104606271

IUPAC4-chloro-3-(5-fluoropyrimidin-2-yl)oxyaniline
SMILESNc1ccc(Cl)c(Oc2ncc(F)cn2)c1
InChIInChI=1S/C10H7ClFN3O/c11-8-2-1-7(13)3-9(8)16-10-14-4-6(12)5-15-10/h1-5H,13H2
InChIKeyCAYIBVDICNXFBM-UHFFFAOYSA-N
MW239.64 g/mol
LogP2.64
Rot. Bonds2

About 4-chloro-3-(5-fluoropyrimidin-2-yl)oxyaniline

4-chloro-3-(5-fluoropyrimidin-2-yl)oxyaniline (PubChem CID 104606271) has the molecular formula C10H7ClFN3O and a molecular weight of 239.64 g/mol. Its IUPAC name is 4-chloro-3-(5-fluoropyrimidin-2-yl)oxyaniline.

Molecular Properties

Compound Name4-chloro-3-(5-fluoropyrimidin-2-yl)oxyaniline
PubChem CID104606271
Molecular FormulaC10H7ClFN3O
Molecular Weight239.64 g/mol
Exact Mass239.03
IUPAC Name4-chloro-3-(5-fluoropyrimidin-2-yl)oxyaniline
SMILESNc1ccc(Cl)c(Oc2ncc(F)cn2)c1
InChIInChI=1S/C10H7ClFN3O/c11-8-2-1-7(13)3-9(8)16-10-14-4-6(12)5-15-10/h1-5H,13H2
InChIKeyCAYIBVDICNXFBM-UHFFFAOYSA-N
XLogP2.64
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.64
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-chloro-3-(5-fluoropyrimidin-2-yl)oxyaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-(5-fluoropyrimidin-2-yl)oxyaniline?
The IUPAC name of 4-chloro-3-(5-fluoropyrimidin-2-yl)oxyaniline (CID 104606271) is 4-chloro-3-(5-fluoropyrimidin-2-yl)oxyaniline.
What is the SMILES notation for 4-chloro-3-(5-fluoropyrimidin-2-yl)oxyaniline?
The canonical SMILES for 4-chloro-3-(5-fluoropyrimidin-2-yl)oxyaniline is Nc1ccc(Cl)c(Oc2ncc(F)cn2)c1.
What is the InChIKey of 4-chloro-3-(5-fluoropyrimidin-2-yl)oxyaniline?
The InChIKey is CAYIBVDICNXFBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClFN3O/c11-8-2-1-7(13)3-9(8)16-10-14-4-6(12)5-15-10/h1-5H,13H2.
What are the key properties of 4-chloro-3-(5-fluoropyrimidin-2-yl)oxyaniline?
4-chloro-3-(5-fluoropyrimidin-2-yl)oxyaniline has a molecular weight of 239.64 g/mol, XLogP of 2.64, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-(5-fluoropyrimidin-2-yl)oxyaniline is sourced from PubChem (CID 104606271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).