5-bromo-6-(4,4-difluoropiperidin-1-yl)pyridin-2-amine

C10H12BrF2N3 — CID 169091957

IUPAC5-bromo-6-(4,4-difluoropiperidin-1-yl)pyridin-2-amine
SMILESNc1ccc(Br)c(N2CCC(F)(F)CC2)n1
InChIInChI=1S/C10H12BrF2N3/c11-7-1-2-8(14)15-9(7)16-5-3-10(12,13)4-6-16/h1-2H,3-6H2,(H2,14,15)
InChIKeyNDOBNSAUXZXVSK-UHFFFAOYSA-N
MW292.13 g/mol
LogP2.66
Rot. Bonds1

About 5-bromo-6-(4,4-difluoropiperidin-1-yl)pyridin-2-amine

5-bromo-6-(4,4-difluoropiperidin-1-yl)pyridin-2-amine (PubChem CID 169091957) has the molecular formula C10H12BrF2N3 and a molecular weight of 292.13 g/mol. Its IUPAC name is 5-bromo-6-(4,4-difluoropiperidin-1-yl)pyridin-2-amine.

Molecular Properties

Compound Name5-bromo-6-(4,4-difluoropiperidin-1-yl)pyridin-2-amine
PubChem CID169091957
Molecular FormulaC10H12BrF2N3
Molecular Weight292.13 g/mol
Exact Mass291.02
IUPAC Name5-bromo-6-(4,4-difluoropiperidin-1-yl)pyridin-2-amine
SMILESNc1ccc(Br)c(N2CCC(F)(F)CC2)n1
InChIInChI=1S/C10H12BrF2N3/c11-7-1-2-8(14)15-9(7)16-5-3-10(12,13)4-6-16/h1-2H,3-6H2,(H2,14,15)
InChIKeyNDOBNSAUXZXVSK-UHFFFAOYSA-N
XLogP2.66
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.13
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-(4,4-difluoropiperidin-1-yl)pyridin-2-amine?
The IUPAC name of 5-bromo-6-(4,4-difluoropiperidin-1-yl)pyridin-2-amine (CID 169091957) is 5-bromo-6-(4,4-difluoropiperidin-1-yl)pyridin-2-amine.
What is the SMILES notation for 5-bromo-6-(4,4-difluoropiperidin-1-yl)pyridin-2-amine?
The canonical SMILES for 5-bromo-6-(4,4-difluoropiperidin-1-yl)pyridin-2-amine is Nc1ccc(Br)c(N2CCC(F)(F)CC2)n1.
What is the InChIKey of 5-bromo-6-(4,4-difluoropiperidin-1-yl)pyridin-2-amine?
The InChIKey is NDOBNSAUXZXVSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrF2N3/c11-7-1-2-8(14)15-9(7)16-5-3-10(12,13)4-6-16/h1-2H,3-6H2,(H2,14,15).
What are the key properties of 5-bromo-6-(4,4-difluoropiperidin-1-yl)pyridin-2-amine?
5-bromo-6-(4,4-difluoropiperidin-1-yl)pyridin-2-amine has a molecular weight of 292.13 g/mol, XLogP of 2.66, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-(4,4-difluoropiperidin-1-yl)pyridin-2-amine is sourced from PubChem (CID 169091957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).