6-fluoro-N-(1-propan-2-ylazetidin-3-yl)pyridin-2-amine

C11H16FN3 — CID 130620537

IUPAC6-fluoro-N-(1-propan-2-ylazetidin-3-yl)pyridin-2-amine
SMILESCC(C)N1CC(Nc2cccc(F)n2)C1
InChIInChI=1S/C11H16FN3/c1-8(2)15-6-9(7-15)13-11-5-3-4-10(12)14-11/h3-5,8-9H,6-7H2,1-2H3,(H,13,14)
InChIKeyLMARYFPUGSRGDD-UHFFFAOYSA-N
MW209.27 g/mol
LogP1.73
Rot. Bonds3

About 6-fluoro-N-(1-propan-2-ylazetidin-3-yl)pyridin-2-amine

6-fluoro-N-(1-propan-2-ylazetidin-3-yl)pyridin-2-amine (PubChem CID 130620537) has the molecular formula C11H16FN3 and a molecular weight of 209.27 g/mol. Its IUPAC name is 6-fluoro-N-(1-propan-2-ylazetidin-3-yl)pyridin-2-amine.

Molecular Properties

Compound Name6-fluoro-N-(1-propan-2-ylazetidin-3-yl)pyridin-2-amine
PubChem CID130620537
Molecular FormulaC11H16FN3
Molecular Weight209.27 g/mol
Exact Mass209.13
IUPAC Name6-fluoro-N-(1-propan-2-ylazetidin-3-yl)pyridin-2-amine
SMILESCC(C)N1CC(Nc2cccc(F)n2)C1
InChIInChI=1S/C11H16FN3/c1-8(2)15-6-9(7-15)13-11-5-3-4-10(12)14-11/h3-5,8-9H,6-7H2,1-2H3,(H,13,14)
InChIKeyLMARYFPUGSRGDD-UHFFFAOYSA-N
XLogP1.73
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.27
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(1-propan-2-ylazetidin-3-yl)pyridin-2-amine?
The IUPAC name of 6-fluoro-N-(1-propan-2-ylazetidin-3-yl)pyridin-2-amine (CID 130620537) is 6-fluoro-N-(1-propan-2-ylazetidin-3-yl)pyridin-2-amine.
What is the SMILES notation for 6-fluoro-N-(1-propan-2-ylazetidin-3-yl)pyridin-2-amine?
The canonical SMILES for 6-fluoro-N-(1-propan-2-ylazetidin-3-yl)pyridin-2-amine is CC(C)N1CC(Nc2cccc(F)n2)C1.
What is the InChIKey of 6-fluoro-N-(1-propan-2-ylazetidin-3-yl)pyridin-2-amine?
The InChIKey is LMARYFPUGSRGDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FN3/c1-8(2)15-6-9(7-15)13-11-5-3-4-10(12)14-11/h3-5,8-9H,6-7H2,1-2H3,(H,13,14).
What are the key properties of 6-fluoro-N-(1-propan-2-ylazetidin-3-yl)pyridin-2-amine?
6-fluoro-N-(1-propan-2-ylazetidin-3-yl)pyridin-2-amine has a molecular weight of 209.27 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-(1-propan-2-ylazetidin-3-yl)pyridin-2-amine is sourced from PubChem (CID 130620537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).