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

C17H14ClN3O — CID 70685239

IUPAC2-N-[4-(4-chlorophenoxy)phenyl]pyridine-2,4-diamine
SMILESNc1ccnc(Nc2ccc(Oc3ccc(Cl)cc3)cc2)c1
InChIInChI=1S/C17H14ClN3O/c18-12-1-5-15(6-2-12)22-16-7-3-14(4-8-16)21-17-11-13(19)9-10-20-17/h1-11H,(H3,19,20,21)
InChIKeyUKTNDHDKOFVMKY-UHFFFAOYSA-N
MW311.77 g/mol
LogP4.85
Rot. Bonds4

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

2-N-[4-(4-chlorophenoxy)phenyl]pyridine-2,4-diamine (PubChem CID 70685239) has the molecular formula C17H14ClN3O and a molecular weight of 311.77 g/mol. Its IUPAC name is 2-N-[4-(4-chlorophenoxy)phenyl]pyridine-2,4-diamine.

Molecular Properties

Compound Name2-N-[4-(4-chlorophenoxy)phenyl]pyridine-2,4-diamine
PubChem CID70685239
Molecular FormulaC17H14ClN3O
Molecular Weight311.77 g/mol
Exact Mass311.08
IUPAC Name2-N-[4-(4-chlorophenoxy)phenyl]pyridine-2,4-diamine
SMILESNc1ccnc(Nc2ccc(Oc3ccc(Cl)cc3)cc2)c1
InChIInChI=1S/C17H14ClN3O/c18-12-1-5-15(6-2-12)22-16-7-3-14(4-8-16)21-17-11-13(19)9-10-20-17/h1-11H,(H3,19,20,21)
InChIKeyUKTNDHDKOFVMKY-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 2-N-[4-(4-chlorophenoxy)phenyl]pyridine-2,4-diamine?
The IUPAC name of 2-N-[4-(4-chlorophenoxy)phenyl]pyridine-2,4-diamine (CID 70685239) is 2-N-[4-(4-chlorophenoxy)phenyl]pyridine-2,4-diamine.
What is the SMILES notation for 2-N-[4-(4-chlorophenoxy)phenyl]pyridine-2,4-diamine?
The canonical SMILES for 2-N-[4-(4-chlorophenoxy)phenyl]pyridine-2,4-diamine is Nc1ccnc(Nc2ccc(Oc3ccc(Cl)cc3)cc2)c1.
What is the InChIKey of 2-N-[4-(4-chlorophenoxy)phenyl]pyridine-2,4-diamine?
The InChIKey is UKTNDHDKOFVMKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3O/c18-12-1-5-15(6-2-12)22-16-7-3-14(4-8-16)21-17-11-13(19)9-10-20-17/h1-11H,(H3,19,20,21).
What are the key properties of 2-N-[4-(4-chlorophenoxy)phenyl]pyridine-2,4-diamine?
2-N-[4-(4-chlorophenoxy)phenyl]pyridine-2,4-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 2-N-[4-(4-chlorophenoxy)phenyl]pyridine-2,4-diamine is sourced from PubChem (CID 70685239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).