5-bromo-2-(2,2-difluoro-3-piperidin-1-ylpropoxy)pyridin-3-amine

C13H18BrF2N3O — CID 146212318

IUPAC5-bromo-2-(2,2-difluoro-3-piperidin-1-ylpropoxy)pyridin-3-amine
SMILESNc1cc(Br)cnc1OCC(F)(F)CN1CCCCC1
InChIInChI=1S/C13H18BrF2N3O/c14-10-6-11(17)12(18-7-10)20-9-13(15,16)8-19-4-2-1-3-5-19/h6-7H,1-5,8-9,17H2
InChIKeyCBAGYFNZNOEACA-UHFFFAOYSA-N
MW350.21 g/mol
LogP2.93
Rot. Bonds5

About 5-bromo-2-(2,2-difluoro-3-piperidin-1-ylpropoxy)pyridin-3-amine

5-bromo-2-(2,2-difluoro-3-piperidin-1-ylpropoxy)pyridin-3-amine (PubChem CID 146212318) has the molecular formula C13H18BrF2N3O and a molecular weight of 350.21 g/mol. Its IUPAC name is 5-bromo-2-(2,2-difluoro-3-piperidin-1-ylpropoxy)pyridin-3-amine.

Molecular Properties

Compound Name5-bromo-2-(2,2-difluoro-3-piperidin-1-ylpropoxy)pyridin-3-amine
PubChem CID146212318
Molecular FormulaC13H18BrF2N3O
Molecular Weight350.21 g/mol
Exact Mass349.06
IUPAC Name5-bromo-2-(2,2-difluoro-3-piperidin-1-ylpropoxy)pyridin-3-amine
SMILESNc1cc(Br)cnc1OCC(F)(F)CN1CCCCC1
InChIInChI=1S/C13H18BrF2N3O/c14-10-6-11(17)12(18-7-10)20-9-13(15,16)8-19-4-2-1-3-5-19/h6-7H,1-5,8-9,17H2
InChIKeyCBAGYFNZNOEACA-UHFFFAOYSA-N
XLogP2.93
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.21
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(2,2-difluoro-3-piperidin-1-ylpropoxy)pyridin-3-amine?
The IUPAC name of 5-bromo-2-(2,2-difluoro-3-piperidin-1-ylpropoxy)pyridin-3-amine (CID 146212318) is 5-bromo-2-(2,2-difluoro-3-piperidin-1-ylpropoxy)pyridin-3-amine.
What is the SMILES notation for 5-bromo-2-(2,2-difluoro-3-piperidin-1-ylpropoxy)pyridin-3-amine?
The canonical SMILES for 5-bromo-2-(2,2-difluoro-3-piperidin-1-ylpropoxy)pyridin-3-amine is Nc1cc(Br)cnc1OCC(F)(F)CN1CCCCC1.
What is the InChIKey of 5-bromo-2-(2,2-difluoro-3-piperidin-1-ylpropoxy)pyridin-3-amine?
The InChIKey is CBAGYFNZNOEACA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrF2N3O/c14-10-6-11(17)12(18-7-10)20-9-13(15,16)8-19-4-2-1-3-5-19/h6-7H,1-5,8-9,17H2.
What are the key properties of 5-bromo-2-(2,2-difluoro-3-piperidin-1-ylpropoxy)pyridin-3-amine?
5-bromo-2-(2,2-difluoro-3-piperidin-1-ylpropoxy)pyridin-3-amine has a molecular weight of 350.21 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(2,2-difluoro-3-piperidin-1-ylpropoxy)pyridin-3-amine is sourced from PubChem (CID 146212318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).