6-(3,4-dichlorophenoxy)pyridin-3-amine

C11H8Cl2N2O — CID 514887

IUPAC6-(3,4-dichlorophenoxy)pyridin-3-amine
SMILESNc1ccc(Oc2ccc(Cl)c(Cl)c2)nc1
InChIInChI=1S/C11H8Cl2N2O/c12-9-3-2-8(5-10(9)13)16-11-4-1-7(14)6-15-11/h1-6H,14H2
InChIKeyVISQAAUSWBVTLK-UHFFFAOYSA-N
MW255.10 g/mol
LogP3.76
Rot. Bonds2

About 6-(3,4-dichlorophenoxy)pyridin-3-amine

6-(3,4-dichlorophenoxy)pyridin-3-amine (PubChem CID 514887) has the molecular formula C11H8Cl2N2O and a molecular weight of 255.10 g/mol. Its IUPAC name is 6-(3,4-dichlorophenoxy)pyridin-3-amine.

Molecular Properties

Compound Name6-(3,4-dichlorophenoxy)pyridin-3-amine
PubChem CID514887
Molecular FormulaC11H8Cl2N2O
Molecular Weight255.10 g/mol
Exact Mass254.00
IUPAC Name6-(3,4-dichlorophenoxy)pyridin-3-amine
SMILESNc1ccc(Oc2ccc(Cl)c(Cl)c2)nc1
InChIInChI=1S/C11H8Cl2N2O/c12-9-3-2-8(5-10(9)13)16-11-4-1-7(14)6-15-11/h1-6H,14H2
InChIKeyVISQAAUSWBVTLK-UHFFFAOYSA-N
XLogP3.76
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.10
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_OC_no_alk_A(8)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(3,4-dichlorophenoxy)pyridin-3-amine?
The IUPAC name of 6-(3,4-dichlorophenoxy)pyridin-3-amine (CID 514887) is 6-(3,4-dichlorophenoxy)pyridin-3-amine.
What is the SMILES notation for 6-(3,4-dichlorophenoxy)pyridin-3-amine?
The canonical SMILES for 6-(3,4-dichlorophenoxy)pyridin-3-amine is Nc1ccc(Oc2ccc(Cl)c(Cl)c2)nc1.
What is the InChIKey of 6-(3,4-dichlorophenoxy)pyridin-3-amine?
The InChIKey is VISQAAUSWBVTLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Cl2N2O/c12-9-3-2-8(5-10(9)13)16-11-4-1-7(14)6-15-11/h1-6H,14H2.
What are the key properties of 6-(3,4-dichlorophenoxy)pyridin-3-amine?
6-(3,4-dichlorophenoxy)pyridin-3-amine has a molecular weight of 255.10 g/mol, XLogP of 3.76, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-dichlorophenoxy)pyridin-3-amine is sourced from PubChem (CID 514887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).