5-(2-chloro-4-phenylphenoxy)pyridin-3-amine

C17H13ClN2O — CID 104536344

IUPAC5-(2-chloro-4-phenylphenoxy)pyridin-3-amine
SMILESNc1cncc(Oc2ccc(-c3ccccc3)cc2Cl)c1
InChIInChI=1S/C17H13ClN2O/c18-16-8-13(12-4-2-1-3-5-12)6-7-17(16)21-15-9-14(19)10-20-11-15/h1-11H,19H2
InChIKeyVPRCJMCIBLNHMT-UHFFFAOYSA-N
MW296.76 g/mol
LogP4.78
Rot. Bonds3

About 5-(2-chloro-4-phenylphenoxy)pyridin-3-amine

5-(2-chloro-4-phenylphenoxy)pyridin-3-amine (PubChem CID 104536344) has the molecular formula C17H13ClN2O and a molecular weight of 296.76 g/mol. Its IUPAC name is 5-(2-chloro-4-phenylphenoxy)pyridin-3-amine.

Molecular Properties

Compound Name5-(2-chloro-4-phenylphenoxy)pyridin-3-amine
PubChem CID104536344
Molecular FormulaC17H13ClN2O
Molecular Weight296.76 g/mol
Exact Mass296.07
IUPAC Name5-(2-chloro-4-phenylphenoxy)pyridin-3-amine
SMILESNc1cncc(Oc2ccc(-c3ccccc3)cc2Cl)c1
InChIInChI=1S/C17H13ClN2O/c18-16-8-13(12-4-2-1-3-5-12)6-7-17(16)21-15-9-14(19)10-20-11-15/h1-11H,19H2
InChIKeyVPRCJMCIBLNHMT-UHFFFAOYSA-N
XLogP4.78
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.76
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2-chloro-4-phenylphenoxy)pyridin-3-amine?
The IUPAC name of 5-(2-chloro-4-phenylphenoxy)pyridin-3-amine (CID 104536344) is 5-(2-chloro-4-phenylphenoxy)pyridin-3-amine.
What is the SMILES notation for 5-(2-chloro-4-phenylphenoxy)pyridin-3-amine?
The canonical SMILES for 5-(2-chloro-4-phenylphenoxy)pyridin-3-amine is Nc1cncc(Oc2ccc(-c3ccccc3)cc2Cl)c1.
What is the InChIKey of 5-(2-chloro-4-phenylphenoxy)pyridin-3-amine?
The InChIKey is VPRCJMCIBLNHMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN2O/c18-16-8-13(12-4-2-1-3-5-12)6-7-17(16)21-15-9-14(19)10-20-11-15/h1-11H,19H2.
What are the key properties of 5-(2-chloro-4-phenylphenoxy)pyridin-3-amine?
5-(2-chloro-4-phenylphenoxy)pyridin-3-amine has a molecular weight of 296.76 g/mol, XLogP of 4.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chloro-4-phenylphenoxy)pyridin-3-amine is sourced from PubChem (CID 104536344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).