5-bromo-6-morpholin-4-ylpyridin-3-amine

C9H12BrN3O — CID 70699552

IUPAC5-bromo-6-morpholin-4-ylpyridin-3-amine
SMILESNc1cnc(N2CCOCC2)c(Br)c1
InChIInChI=1S/C9H12BrN3O/c10-8-5-7(11)6-12-9(8)13-1-3-14-4-2-13/h5-6H,1-4,11H2
InChIKeyLHELECNPYPJWHD-UHFFFAOYSA-N
MW258.12 g/mol
LogP1.26
Rot. Bonds1

About 5-bromo-6-morpholin-4-ylpyridin-3-amine

5-bromo-6-morpholin-4-ylpyridin-3-amine (PubChem CID 70699552) has the molecular formula C9H12BrN3O and a molecular weight of 258.12 g/mol. Its IUPAC name is 5-bromo-6-morpholin-4-ylpyridin-3-amine.

Molecular Properties

Compound Name5-bromo-6-morpholin-4-ylpyridin-3-amine
PubChem CID70699552
Molecular FormulaC9H12BrN3O
Molecular Weight258.12 g/mol
Exact Mass257.02
IUPAC Name5-bromo-6-morpholin-4-ylpyridin-3-amine
SMILESNc1cnc(N2CCOCC2)c(Br)c1
InChIInChI=1S/C9H12BrN3O/c10-8-5-7(11)6-12-9(8)13-1-3-14-4-2-13/h5-6H,1-4,11H2
InChIKeyLHELECNPYPJWHD-UHFFFAOYSA-N
XLogP1.26
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.12
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-morpholin-4-ylpyridin-3-amine?
The IUPAC name of 5-bromo-6-morpholin-4-ylpyridin-3-amine (CID 70699552) is 5-bromo-6-morpholin-4-ylpyridin-3-amine.
What is the SMILES notation for 5-bromo-6-morpholin-4-ylpyridin-3-amine?
The canonical SMILES for 5-bromo-6-morpholin-4-ylpyridin-3-amine is Nc1cnc(N2CCOCC2)c(Br)c1.
What is the InChIKey of 5-bromo-6-morpholin-4-ylpyridin-3-amine?
The InChIKey is LHELECNPYPJWHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrN3O/c10-8-5-7(11)6-12-9(8)13-1-3-14-4-2-13/h5-6H,1-4,11H2.
What are the key properties of 5-bromo-6-morpholin-4-ylpyridin-3-amine?
5-bromo-6-morpholin-4-ylpyridin-3-amine has a molecular weight of 258.12 g/mol, XLogP of 1.26, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-morpholin-4-ylpyridin-3-amine is sourced from PubChem (CID 70699552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).