2-chloro-5-(5-chloro-2-fluoro-4-pyridinyl)-N-(oxan-4-ylmethyl)pyridin-3-amine

C16H16Cl2FN3O — CID 86653904

IUPAC2-chloro-5-(5-chloro-2-fluoro-4-pyridinyl)-N-(oxan-4-ylmethyl)pyridin-3-amine
SMILESFc1cc(-c2cnc(Cl)c(NCC3CCOCC3)c2)c(Cl)cn1
InChIInChI=1S/C16H16Cl2FN3O/c17-13-9-21-15(19)6-12(13)11-5-14(16(18)22-8-11)20-7-10-1-3-23-4-2-10/h5-6,8-10,20H,1-4,7H2
InChIKeyBAHBXJOKEHNIHE-UHFFFAOYSA-N
MW356.23 g/mol
LogP4.43
Rot. Bonds4

About 2-chloro-5-(5-chloro-2-fluoro-4-pyridinyl)-N-(oxan-4-ylmethyl)pyridin-3-amine

2-chloro-5-(5-chloro-2-fluoro-4-pyridinyl)-N-(oxan-4-ylmethyl)pyridin-3-amine (PubChem CID 86653904) has the molecular formula C16H16Cl2FN3O and a molecular weight of 356.23 g/mol. Its IUPAC name is 2-chloro-5-(5-chloro-2-fluoro-4-pyridinyl)-N-(oxan-4-ylmethyl)pyridin-3-amine.

Molecular Properties

Compound Name2-chloro-5-(5-chloro-2-fluoro-4-pyridinyl)-N-(oxan-4-ylmethyl)pyridin-3-amine
PubChem CID86653904
Molecular FormulaC16H16Cl2FN3O
Molecular Weight356.23 g/mol
Exact Mass355.07
IUPAC Name2-chloro-5-(5-chloro-2-fluoro-4-pyridinyl)-N-(oxan-4-ylmethyl)pyridin-3-amine
SMILESFc1cc(-c2cnc(Cl)c(NCC3CCOCC3)c2)c(Cl)cn1
InChIInChI=1S/C16H16Cl2FN3O/c17-13-9-21-15(19)6-12(13)11-5-14(16(18)22-8-11)20-7-10-1-3-23-4-2-10/h5-6,8-10,20H,1-4,7H2
InChIKeyBAHBXJOKEHNIHE-UHFFFAOYSA-N
XLogP4.43
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.23
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 2-chloro-5-(5-chloro-2-fluoro-4-pyridinyl)-N-(oxan-4-ylmethyl)pyridin-3-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 2-chloro-5-(5-chloro-2-fluoro-4-pyridinyl)-N-(oxan-4-ylmethyl)pyridin-3-amine?
The IUPAC name of 2-chloro-5-(5-chloro-2-fluoro-4-pyridinyl)-N-(oxan-4-ylmethyl)pyridin-3-amine (CID 86653904) is 2-chloro-5-(5-chloro-2-fluoro-4-pyridinyl)-N-(oxan-4-ylmethyl)pyridin-3-amine.
What is the SMILES notation for 2-chloro-5-(5-chloro-2-fluoro-4-pyridinyl)-N-(oxan-4-ylmethyl)pyridin-3-amine?
The canonical SMILES for 2-chloro-5-(5-chloro-2-fluoro-4-pyridinyl)-N-(oxan-4-ylmethyl)pyridin-3-amine is Fc1cc(-c2cnc(Cl)c(NCC3CCOCC3)c2)c(Cl)cn1.
What is the InChIKey of 2-chloro-5-(5-chloro-2-fluoro-4-pyridinyl)-N-(oxan-4-ylmethyl)pyridin-3-amine?
The InChIKey is BAHBXJOKEHNIHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2FN3O/c17-13-9-21-15(19)6-12(13)11-5-14(16(18)22-8-11)20-7-10-1-3-23-4-2-10/h5-6,8-10,20H,1-4,7H2.
What are the key properties of 2-chloro-5-(5-chloro-2-fluoro-4-pyridinyl)-N-(oxan-4-ylmethyl)pyridin-3-amine?
2-chloro-5-(5-chloro-2-fluoro-4-pyridinyl)-N-(oxan-4-ylmethyl)pyridin-3-amine has a molecular weight of 356.23 g/mol, XLogP of 4.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(5-chloro-2-fluoro-4-pyridinyl)-N-(oxan-4-ylmethyl)pyridin-3-amine is sourced from PubChem (CID 86653904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).