5-chloro-6-(5-chloro-2-fluoro-4-pyridinyl)-N-[2-(oxan-4-yl)ethyl]pyridin-2-amine

C17H18Cl2FN3O — CID 67043295

IUPAC5-chloro-6-(5-chloro-2-fluoro-4-pyridinyl)-N-[2-(oxan-4-yl)ethyl]pyridin-2-amine
SMILESFc1cc(-c2nc(NCCC3CCOCC3)ccc2Cl)c(Cl)cn1
InChIInChI=1S/C17H18Cl2FN3O/c18-13-1-2-16(21-6-3-11-4-7-24-8-5-11)23-17(13)12-9-15(20)22-10-14(12)19/h1-2,9-11H,3-8H2,(H,21,23)
InChIKeyYXXPUGLRBCIUDR-UHFFFAOYSA-N
MW370.26 g/mol
LogP4.82
Rot. Bonds5

About 5-chloro-6-(5-chloro-2-fluoro-4-pyridinyl)-N-[2-(oxan-4-yl)ethyl]pyridin-2-amine

5-chloro-6-(5-chloro-2-fluoro-4-pyridinyl)-N-[2-(oxan-4-yl)ethyl]pyridin-2-amine (PubChem CID 67043295) has the molecular formula C17H18Cl2FN3O and a molecular weight of 370.26 g/mol. Its IUPAC name is 5-chloro-6-(5-chloro-2-fluoro-4-pyridinyl)-N-[2-(oxan-4-yl)ethyl]pyridin-2-amine.

Molecular Properties

Compound Name5-chloro-6-(5-chloro-2-fluoro-4-pyridinyl)-N-[2-(oxan-4-yl)ethyl]pyridin-2-amine
PubChem CID67043295
Molecular FormulaC17H18Cl2FN3O
Molecular Weight370.26 g/mol
Exact Mass369.08
IUPAC Name5-chloro-6-(5-chloro-2-fluoro-4-pyridinyl)-N-[2-(oxan-4-yl)ethyl]pyridin-2-amine
SMILESFc1cc(-c2nc(NCCC3CCOCC3)ccc2Cl)c(Cl)cn1
InChIInChI=1S/C17H18Cl2FN3O/c18-13-1-2-16(21-6-3-11-4-7-24-8-5-11)23-17(13)12-9-15(20)22-10-14(12)19/h1-2,9-11H,3-8H2,(H,21,23)
InChIKeyYXXPUGLRBCIUDR-UHFFFAOYSA-N
XLogP4.82
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.26
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-(5-chloro-2-fluoro-4-pyridinyl)-N-[2-(oxan-4-yl)ethyl]pyridin-2-amine?
The IUPAC name of 5-chloro-6-(5-chloro-2-fluoro-4-pyridinyl)-N-[2-(oxan-4-yl)ethyl]pyridin-2-amine (CID 67043295) is 5-chloro-6-(5-chloro-2-fluoro-4-pyridinyl)-N-[2-(oxan-4-yl)ethyl]pyridin-2-amine.
What is the SMILES notation for 5-chloro-6-(5-chloro-2-fluoro-4-pyridinyl)-N-[2-(oxan-4-yl)ethyl]pyridin-2-amine?
The canonical SMILES for 5-chloro-6-(5-chloro-2-fluoro-4-pyridinyl)-N-[2-(oxan-4-yl)ethyl]pyridin-2-amine is Fc1cc(-c2nc(NCCC3CCOCC3)ccc2Cl)c(Cl)cn1.
What is the InChIKey of 5-chloro-6-(5-chloro-2-fluoro-4-pyridinyl)-N-[2-(oxan-4-yl)ethyl]pyridin-2-amine?
The InChIKey is YXXPUGLRBCIUDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Cl2FN3O/c18-13-1-2-16(21-6-3-11-4-7-24-8-5-11)23-17(13)12-9-15(20)22-10-14(12)19/h1-2,9-11H,3-8H2,(H,21,23).
What are the key properties of 5-chloro-6-(5-chloro-2-fluoro-4-pyridinyl)-N-[2-(oxan-4-yl)ethyl]pyridin-2-amine?
5-chloro-6-(5-chloro-2-fluoro-4-pyridinyl)-N-[2-(oxan-4-yl)ethyl]pyridin-2-amine has a molecular weight of 370.26 g/mol, XLogP of 4.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-(5-chloro-2-fluoro-4-pyridinyl)-N-[2-(oxan-4-yl)ethyl]pyridin-2-amine is sourced from PubChem (CID 67043295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).