2-chloro-6-(3,5-dichlorophenoxy)pyridin-4-amine

C11H7Cl3N2O — CID 114070681

IUPAC2-chloro-6-(3,5-dichlorophenoxy)pyridin-4-amine
SMILESNc1cc(Cl)nc(Oc2cc(Cl)cc(Cl)c2)c1
InChIInChI=1S/C11H7Cl3N2O/c12-6-1-7(13)3-9(2-6)17-11-5-8(15)4-10(14)16-11/h1-5H,(H2,15,16)
InChIKeyMDCOZQHIEYFXAA-UHFFFAOYSA-N
MW289.55 g/mol
LogP4.42
Rot. Bonds2

About 2-chloro-6-(3,5-dichlorophenoxy)pyridin-4-amine

2-chloro-6-(3,5-dichlorophenoxy)pyridin-4-amine (PubChem CID 114070681) has the molecular formula C11H7Cl3N2O and a molecular weight of 289.55 g/mol. Its IUPAC name is 2-chloro-6-(3,5-dichlorophenoxy)pyridin-4-amine.

Molecular Properties

Compound Name2-chloro-6-(3,5-dichlorophenoxy)pyridin-4-amine
PubChem CID114070681
Molecular FormulaC11H7Cl3N2O
Molecular Weight289.55 g/mol
Exact Mass287.96
IUPAC Name2-chloro-6-(3,5-dichlorophenoxy)pyridin-4-amine
SMILESNc1cc(Cl)nc(Oc2cc(Cl)cc(Cl)c2)c1
InChIInChI=1S/C11H7Cl3N2O/c12-6-1-7(13)3-9(2-6)17-11-5-8(15)4-10(14)16-11/h1-5H,(H2,15,16)
InChIKeyMDCOZQHIEYFXAA-UHFFFAOYSA-N
XLogP4.42
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.55
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(3,5-dichlorophenoxy)pyridin-4-amine?
The IUPAC name of 2-chloro-6-(3,5-dichlorophenoxy)pyridin-4-amine (CID 114070681) is 2-chloro-6-(3,5-dichlorophenoxy)pyridin-4-amine.
What is the SMILES notation for 2-chloro-6-(3,5-dichlorophenoxy)pyridin-4-amine?
The canonical SMILES for 2-chloro-6-(3,5-dichlorophenoxy)pyridin-4-amine is Nc1cc(Cl)nc(Oc2cc(Cl)cc(Cl)c2)c1.
What is the InChIKey of 2-chloro-6-(3,5-dichlorophenoxy)pyridin-4-amine?
The InChIKey is MDCOZQHIEYFXAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7Cl3N2O/c12-6-1-7(13)3-9(2-6)17-11-5-8(15)4-10(14)16-11/h1-5H,(H2,15,16).
What are the key properties of 2-chloro-6-(3,5-dichlorophenoxy)pyridin-4-amine?
2-chloro-6-(3,5-dichlorophenoxy)pyridin-4-amine has a molecular weight of 289.55 g/mol, XLogP of 4.42, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(3,5-dichlorophenoxy)pyridin-4-amine is sourced from PubChem (CID 114070681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).