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

C17H13ClN2O — CID 66748130

IUPAC5-chloro-3-(4-phenoxyphenyl)pyridin-2-amine
SMILESNc1ncc(Cl)cc1-c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C17H13ClN2O/c18-13-10-16(17(19)20-11-13)12-6-8-15(9-7-12)21-14-4-2-1-3-5-14/h1-11H,(H2,19,20)
InChIKeyBKVPZZDCDMUDGD-UHFFFAOYSA-N
MW296.76 g/mol
LogP4.78
Rot. Bonds3

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

5-chloro-3-(4-phenoxyphenyl)pyridin-2-amine (PubChem CID 66748130) has the molecular formula C17H13ClN2O and a molecular weight of 296.76 g/mol. Its IUPAC name is 5-chloro-3-(4-phenoxyphenyl)pyridin-2-amine.

Molecular Properties

Compound Name5-chloro-3-(4-phenoxyphenyl)pyridin-2-amine
PubChem CID66748130
Molecular FormulaC17H13ClN2O
Molecular Weight296.76 g/mol
Exact Mass296.07
IUPAC Name5-chloro-3-(4-phenoxyphenyl)pyridin-2-amine
SMILESNc1ncc(Cl)cc1-c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C17H13ClN2O/c18-13-10-16(17(19)20-11-13)12-6-8-15(9-7-12)21-14-4-2-1-3-5-14/h1-11H,(H2,19,20)
InChIKeyBKVPZZDCDMUDGD-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

Analyze 5-chloro-3-(4-phenoxyphenyl)pyridin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-(4-phenoxyphenyl)pyridin-2-amine?
The IUPAC name of 5-chloro-3-(4-phenoxyphenyl)pyridin-2-amine (CID 66748130) is 5-chloro-3-(4-phenoxyphenyl)pyridin-2-amine.
What is the SMILES notation for 5-chloro-3-(4-phenoxyphenyl)pyridin-2-amine?
The canonical SMILES for 5-chloro-3-(4-phenoxyphenyl)pyridin-2-amine is Nc1ncc(Cl)cc1-c1ccc(Oc2ccccc2)cc1.
What is the InChIKey of 5-chloro-3-(4-phenoxyphenyl)pyridin-2-amine?
The InChIKey is BKVPZZDCDMUDGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN2O/c18-13-10-16(17(19)20-11-13)12-6-8-15(9-7-12)21-14-4-2-1-3-5-14/h1-11H,(H2,19,20).
What are the key properties of 5-chloro-3-(4-phenoxyphenyl)pyridin-2-amine?
5-chloro-3-(4-phenoxyphenyl)pyridin-2-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-chloro-3-(4-phenoxyphenyl)pyridin-2-amine is sourced from PubChem (CID 66748130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).