3,5-difluoro-N-(2-pyrrolidin-1-ylethyl)pyridin-2-amine

C11H15F2N3 — CID 112675837

IUPAC3,5-difluoro-N-(2-pyrrolidin-1-ylethyl)pyridin-2-amine
SMILESFc1cnc(NCCN2CCCC2)c(F)c1
InChIInChI=1S/C11H15F2N3/c12-9-7-10(13)11(15-8-9)14-3-6-16-4-1-2-5-16/h7-8H,1-6H2,(H,14,15)
InChIKeyVMYVDBFBLKEMJF-UHFFFAOYSA-N
MW227.26 g/mol
LogP1.87
Rot. Bonds4

About 3,5-difluoro-N-(2-pyrrolidin-1-ylethyl)pyridin-2-amine

3,5-difluoro-N-(2-pyrrolidin-1-ylethyl)pyridin-2-amine (PubChem CID 112675837) has the molecular formula C11H15F2N3 and a molecular weight of 227.26 g/mol. Its IUPAC name is 3,5-difluoro-N-(2-pyrrolidin-1-ylethyl)pyridin-2-amine.

Molecular Properties

Compound Name3,5-difluoro-N-(2-pyrrolidin-1-ylethyl)pyridin-2-amine
PubChem CID112675837
Molecular FormulaC11H15F2N3
Molecular Weight227.26 g/mol
Exact Mass227.12
IUPAC Name3,5-difluoro-N-(2-pyrrolidin-1-ylethyl)pyridin-2-amine
SMILESFc1cnc(NCCN2CCCC2)c(F)c1
InChIInChI=1S/C11H15F2N3/c12-9-7-10(13)11(15-8-9)14-3-6-16-4-1-2-5-16/h7-8H,1-6H2,(H,14,15)
InChIKeyVMYVDBFBLKEMJF-UHFFFAOYSA-N
XLogP1.87
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-N-(2-pyrrolidin-1-ylethyl)pyridin-2-amine?
The IUPAC name of 3,5-difluoro-N-(2-pyrrolidin-1-ylethyl)pyridin-2-amine (CID 112675837) is 3,5-difluoro-N-(2-pyrrolidin-1-ylethyl)pyridin-2-amine.
What is the SMILES notation for 3,5-difluoro-N-(2-pyrrolidin-1-ylethyl)pyridin-2-amine?
The canonical SMILES for 3,5-difluoro-N-(2-pyrrolidin-1-ylethyl)pyridin-2-amine is Fc1cnc(NCCN2CCCC2)c(F)c1.
What is the InChIKey of 3,5-difluoro-N-(2-pyrrolidin-1-ylethyl)pyridin-2-amine?
The InChIKey is VMYVDBFBLKEMJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2N3/c12-9-7-10(13)11(15-8-9)14-3-6-16-4-1-2-5-16/h7-8H,1-6H2,(H,14,15).
What are the key properties of 3,5-difluoro-N-(2-pyrrolidin-1-ylethyl)pyridin-2-amine?
3,5-difluoro-N-(2-pyrrolidin-1-ylethyl)pyridin-2-amine has a molecular weight of 227.26 g/mol, XLogP of 1.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-N-(2-pyrrolidin-1-ylethyl)pyridin-2-amine is sourced from PubChem (CID 112675837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).