3-chloro-4-pyrimidin-2-yloxyaniline

C10H8ClN3O — CID 2763770

IUPAC3-chloro-4-pyrimidin-2-yloxyaniline
SMILESNc1ccc(Oc2ncccn2)c(Cl)c1
InChIInChI=1S/C10H8ClN3O/c11-8-6-7(12)2-3-9(8)15-10-13-4-1-5-14-10/h1-6H,12H2
InChIKeyYCDMLCQFVZCCBZ-UHFFFAOYSA-N
MW221.65 g/mol
LogP2.50
Rot. Bonds2

About 3-chloro-4-pyrimidin-2-yloxyaniline

3-chloro-4-pyrimidin-2-yloxyaniline (PubChem CID 2763770) has the molecular formula C10H8ClN3O and a molecular weight of 221.65 g/mol. Its IUPAC name is 3-chloro-4-pyrimidin-2-yloxyaniline.

Molecular Properties

Compound Name3-chloro-4-pyrimidin-2-yloxyaniline
PubChem CID2763770
Molecular FormulaC10H8ClN3O
Molecular Weight221.65 g/mol
Exact Mass221.04
IUPAC Name3-chloro-4-pyrimidin-2-yloxyaniline
SMILESNc1ccc(Oc2ncccn2)c(Cl)c1
InChIInChI=1S/C10H8ClN3O/c11-8-6-7(12)2-3-9(8)15-10-13-4-1-5-14-10/h1-6H,12H2
InChIKeyYCDMLCQFVZCCBZ-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-chloro-4-pyrimidin-2-yloxyaniline?
The IUPAC name of 3-chloro-4-pyrimidin-2-yloxyaniline (CID 2763770) is 3-chloro-4-pyrimidin-2-yloxyaniline.
What is the SMILES notation for 3-chloro-4-pyrimidin-2-yloxyaniline?
The canonical SMILES for 3-chloro-4-pyrimidin-2-yloxyaniline is Nc1ccc(Oc2ncccn2)c(Cl)c1.
What is the InChIKey of 3-chloro-4-pyrimidin-2-yloxyaniline?
The InChIKey is YCDMLCQFVZCCBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClN3O/c11-8-6-7(12)2-3-9(8)15-10-13-4-1-5-14-10/h1-6H,12H2.
What are the key properties of 3-chloro-4-pyrimidin-2-yloxyaniline?
3-chloro-4-pyrimidin-2-yloxyaniline 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-chloro-4-pyrimidin-2-yloxyaniline is sourced from PubChem (CID 2763770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).