6-fluoro-N-[3-(3-fluorophenyl)cyclobutyl]pyridin-2-amine

C15H14F2N2 — CID 115619378

IUPAC6-fluoro-N-[3-(3-fluorophenyl)cyclobutyl]pyridin-2-amine
SMILESFc1cccc(C2CC(Nc3cccc(F)n3)C2)c1
InChIInChI=1S/C15H14F2N2/c16-12-4-1-3-10(7-12)11-8-13(9-11)18-15-6-2-5-14(17)19-15/h1-7,11,13H,8-9H2,(H,18,19)
InChIKeyOSUWFKCJQBSSRJ-UHFFFAOYSA-N
MW260.29 g/mol
LogP3.72
Rot. Bonds3

About 6-fluoro-N-[3-(3-fluorophenyl)cyclobutyl]pyridin-2-amine

6-fluoro-N-[3-(3-fluorophenyl)cyclobutyl]pyridin-2-amine (PubChem CID 115619378) has the molecular formula C15H14F2N2 and a molecular weight of 260.29 g/mol. Its IUPAC name is 6-fluoro-N-[3-(3-fluorophenyl)cyclobutyl]pyridin-2-amine.

Molecular Properties

Compound Name6-fluoro-N-[3-(3-fluorophenyl)cyclobutyl]pyridin-2-amine
PubChem CID115619378
Molecular FormulaC15H14F2N2
Molecular Weight260.29 g/mol
Exact Mass260.11
IUPAC Name6-fluoro-N-[3-(3-fluorophenyl)cyclobutyl]pyridin-2-amine
SMILESFc1cccc(C2CC(Nc3cccc(F)n3)C2)c1
InChIInChI=1S/C15H14F2N2/c16-12-4-1-3-10(7-12)11-8-13(9-11)18-15-6-2-5-14(17)19-15/h1-7,11,13H,8-9H2,(H,18,19)
InChIKeyOSUWFKCJQBSSRJ-UHFFFAOYSA-N
XLogP3.72
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 6-fluoro-N-[3-(3-fluorophenyl)cyclobutyl]pyridin-2-amine?
The IUPAC name of 6-fluoro-N-[3-(3-fluorophenyl)cyclobutyl]pyridin-2-amine (CID 115619378) is 6-fluoro-N-[3-(3-fluorophenyl)cyclobutyl]pyridin-2-amine.
What is the SMILES notation for 6-fluoro-N-[3-(3-fluorophenyl)cyclobutyl]pyridin-2-amine?
The canonical SMILES for 6-fluoro-N-[3-(3-fluorophenyl)cyclobutyl]pyridin-2-amine is Fc1cccc(C2CC(Nc3cccc(F)n3)C2)c1.
What is the InChIKey of 6-fluoro-N-[3-(3-fluorophenyl)cyclobutyl]pyridin-2-amine?
The InChIKey is OSUWFKCJQBSSRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F2N2/c16-12-4-1-3-10(7-12)11-8-13(9-11)18-15-6-2-5-14(17)19-15/h1-7,11,13H,8-9H2,(H,18,19).
What are the key properties of 6-fluoro-N-[3-(3-fluorophenyl)cyclobutyl]pyridin-2-amine?
6-fluoro-N-[3-(3-fluorophenyl)cyclobutyl]pyridin-2-amine has a molecular weight of 260.29 g/mol, XLogP of 3.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-[3-(3-fluorophenyl)cyclobutyl]pyridin-2-amine is sourced from PubChem (CID 115619378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).