5-N-[4-(4-chlorophenoxy)phenyl]pyridine-3,5-diamine

C17H14ClN3O — CID 70683156

IUPAC5-N-[4-(4-chlorophenoxy)phenyl]pyridine-3,5-diamine
SMILESNc1cncc(Nc2ccc(Oc3ccc(Cl)cc3)cc2)c1
InChIInChI=1S/C17H14ClN3O/c18-12-1-5-16(6-2-12)22-17-7-3-14(4-8-17)21-15-9-13(19)10-20-11-15/h1-11,21H,19H2
InChIKeyVJJMIHLDIPOSDI-UHFFFAOYSA-N
MW311.77 g/mol
LogP4.85
Rot. Bonds4

About 5-N-[4-(4-chlorophenoxy)phenyl]pyridine-3,5-diamine

5-N-[4-(4-chlorophenoxy)phenyl]pyridine-3,5-diamine (PubChem CID 70683156) has the molecular formula C17H14ClN3O and a molecular weight of 311.77 g/mol. Its IUPAC name is 5-N-[4-(4-chlorophenoxy)phenyl]pyridine-3,5-diamine.

Molecular Properties

Compound Name5-N-[4-(4-chlorophenoxy)phenyl]pyridine-3,5-diamine
PubChem CID70683156
Molecular FormulaC17H14ClN3O
Molecular Weight311.77 g/mol
Exact Mass311.08
IUPAC Name5-N-[4-(4-chlorophenoxy)phenyl]pyridine-3,5-diamine
SMILESNc1cncc(Nc2ccc(Oc3ccc(Cl)cc3)cc2)c1
InChIInChI=1S/C17H14ClN3O/c18-12-1-5-16(6-2-12)22-17-7-3-14(4-8-17)21-15-9-13(19)10-20-11-15/h1-11,21H,19H2
InChIKeyVJJMIHLDIPOSDI-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 5-N-[4-(4-chlorophenoxy)phenyl]pyridine-3,5-diamine?
The IUPAC name of 5-N-[4-(4-chlorophenoxy)phenyl]pyridine-3,5-diamine (CID 70683156) is 5-N-[4-(4-chlorophenoxy)phenyl]pyridine-3,5-diamine.
What is the SMILES notation for 5-N-[4-(4-chlorophenoxy)phenyl]pyridine-3,5-diamine?
The canonical SMILES for 5-N-[4-(4-chlorophenoxy)phenyl]pyridine-3,5-diamine is Nc1cncc(Nc2ccc(Oc3ccc(Cl)cc3)cc2)c1.
What is the InChIKey of 5-N-[4-(4-chlorophenoxy)phenyl]pyridine-3,5-diamine?
The InChIKey is VJJMIHLDIPOSDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3O/c18-12-1-5-16(6-2-12)22-17-7-3-14(4-8-17)21-15-9-13(19)10-20-11-15/h1-11,21H,19H2.
What are the key properties of 5-N-[4-(4-chlorophenoxy)phenyl]pyridine-3,5-diamine?
5-N-[4-(4-chlorophenoxy)phenyl]pyridine-3,5-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 5-N-[4-(4-chlorophenoxy)phenyl]pyridine-3,5-diamine is sourced from PubChem (CID 70683156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).