3-(6-chloropyrimidin-4-yl)oxyaniline

C10H8ClN3O — CID 95928501

IUPAC3-(6-chloropyrimidin-4-yl)oxyaniline
SMILESNc1cccc(Oc2cc(Cl)ncn2)c1
InChIInChI=1S/C10H8ClN3O/c11-9-5-10(14-6-13-9)15-8-3-1-2-7(12)4-8/h1-6H,12H2
InChIKeyUQBZCSDEUFGQPO-UHFFFAOYSA-N
MW221.65 g/mol
LogP2.50
Rot. Bonds2

About 3-(6-chloropyrimidin-4-yl)oxyaniline

3-(6-chloropyrimidin-4-yl)oxyaniline (PubChem CID 95928501) has the molecular formula C10H8ClN3O and a molecular weight of 221.65 g/mol. Its IUPAC name is 3-(6-chloropyrimidin-4-yl)oxyaniline.

Molecular Properties

Compound Name3-(6-chloropyrimidin-4-yl)oxyaniline
PubChem CID95928501
Molecular FormulaC10H8ClN3O
Molecular Weight221.65 g/mol
Exact Mass221.04
IUPAC Name3-(6-chloropyrimidin-4-yl)oxyaniline
SMILESNc1cccc(Oc2cc(Cl)ncn2)c1
InChIInChI=1S/C10H8ClN3O/c11-9-5-10(14-6-13-9)15-8-3-1-2-7(12)4-8/h1-6H,12H2
InChIKeyUQBZCSDEUFGQPO-UHFFFAOYSA-N
XLogP2.50
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.65
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(6-chloropyrimidin-4-yl)oxyaniline?
The IUPAC name of 3-(6-chloropyrimidin-4-yl)oxyaniline (CID 95928501) is 3-(6-chloropyrimidin-4-yl)oxyaniline.
What is the SMILES notation for 3-(6-chloropyrimidin-4-yl)oxyaniline?
The canonical SMILES for 3-(6-chloropyrimidin-4-yl)oxyaniline is Nc1cccc(Oc2cc(Cl)ncn2)c1.
What is the InChIKey of 3-(6-chloropyrimidin-4-yl)oxyaniline?
The InChIKey is UQBZCSDEUFGQPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClN3O/c11-9-5-10(14-6-13-9)15-8-3-1-2-7(12)4-8/h1-6H,12H2.
What are the key properties of 3-(6-chloropyrimidin-4-yl)oxyaniline?
3-(6-chloropyrimidin-4-yl)oxyaniline has a molecular weight of 221.65 g/mol, XLogP of 2.50, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-chloropyrimidin-4-yl)oxyaniline is sourced from PubChem (CID 95928501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).