6-N-[4-(4-chlorophenoxy)phenyl]pyridine-2,6-diamine

C17H14ClN3O — CID 70681038

IUPAC6-N-[4-(4-chlorophenoxy)phenyl]pyridine-2,6-diamine
SMILESNc1cccc(Nc2ccc(Oc3ccc(Cl)cc3)cc2)n1
InChIInChI=1S/C17H14ClN3O/c18-12-4-8-14(9-5-12)22-15-10-6-13(7-11-15)20-17-3-1-2-16(19)21-17/h1-11H,(H3,19,20,21)
InChIKeyXEKLRHDGXYAGIK-UHFFFAOYSA-N
MW311.77 g/mol
LogP4.85
Rot. Bonds4

About 6-N-[4-(4-chlorophenoxy)phenyl]pyridine-2,6-diamine

6-N-[4-(4-chlorophenoxy)phenyl]pyridine-2,6-diamine (PubChem CID 70681038) has the molecular formula C17H14ClN3O and a molecular weight of 311.77 g/mol. Its IUPAC name is 6-N-[4-(4-chlorophenoxy)phenyl]pyridine-2,6-diamine.

Molecular Properties

Compound Name6-N-[4-(4-chlorophenoxy)phenyl]pyridine-2,6-diamine
PubChem CID70681038
Molecular FormulaC17H14ClN3O
Molecular Weight311.77 g/mol
Exact Mass311.08
IUPAC Name6-N-[4-(4-chlorophenoxy)phenyl]pyridine-2,6-diamine
SMILESNc1cccc(Nc2ccc(Oc3ccc(Cl)cc3)cc2)n1
InChIInChI=1S/C17H14ClN3O/c18-12-4-8-14(9-5-12)22-15-10-6-13(7-11-15)20-17-3-1-2-16(19)21-17/h1-11H,(H3,19,20,21)
InChIKeyXEKLRHDGXYAGIK-UHFFFAOYSA-N
XLogP4.85
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.77
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-N-[4-(4-chlorophenoxy)phenyl]pyridine-2,6-diamine?
The IUPAC name of 6-N-[4-(4-chlorophenoxy)phenyl]pyridine-2,6-diamine (CID 70681038) is 6-N-[4-(4-chlorophenoxy)phenyl]pyridine-2,6-diamine.
What is the SMILES notation for 6-N-[4-(4-chlorophenoxy)phenyl]pyridine-2,6-diamine?
The canonical SMILES for 6-N-[4-(4-chlorophenoxy)phenyl]pyridine-2,6-diamine is Nc1cccc(Nc2ccc(Oc3ccc(Cl)cc3)cc2)n1.
What is the InChIKey of 6-N-[4-(4-chlorophenoxy)phenyl]pyridine-2,6-diamine?
The InChIKey is XEKLRHDGXYAGIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3O/c18-12-4-8-14(9-5-12)22-15-10-6-13(7-11-15)20-17-3-1-2-16(19)21-17/h1-11H,(H3,19,20,21).
What are the key properties of 6-N-[4-(4-chlorophenoxy)phenyl]pyridine-2,6-diamine?
6-N-[4-(4-chlorophenoxy)phenyl]pyridine-2,6-diamine has a molecular weight of 311.77 g/mol, XLogP of 4.85, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[4-(4-chlorophenoxy)phenyl]pyridine-2,6-diamine is sourced from PubChem (CID 70681038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).