5-bromo-2-N-(oxolan-3-ylmethyl)pyridine-2,3-diamine

C10H14BrN3O — CID 62823635

IUPAC5-bromo-2-N-(oxolan-3-ylmethyl)pyridine-2,3-diamine
SMILESNc1cc(Br)cnc1NCC1CCOC1
InChIInChI=1S/C10H14BrN3O/c11-8-3-9(12)10(14-5-8)13-4-7-1-2-15-6-7/h3,5,7H,1-2,4,6,12H2,(H,13,14)
InChIKeyGOONPHAYUHBJFP-UHFFFAOYSA-N
MW272.15 g/mol
LogP1.87
Rot. Bonds3

About 5-bromo-2-N-(oxolan-3-ylmethyl)pyridine-2,3-diamine

5-bromo-2-N-(oxolan-3-ylmethyl)pyridine-2,3-diamine (PubChem CID 62823635) has the molecular formula C10H14BrN3O and a molecular weight of 272.15 g/mol. Its IUPAC name is 5-bromo-2-N-(oxolan-3-ylmethyl)pyridine-2,3-diamine.

Molecular Properties

Compound Name5-bromo-2-N-(oxolan-3-ylmethyl)pyridine-2,3-diamine
PubChem CID62823635
Molecular FormulaC10H14BrN3O
Molecular Weight272.15 g/mol
Exact Mass271.03
IUPAC Name5-bromo-2-N-(oxolan-3-ylmethyl)pyridine-2,3-diamine
SMILESNc1cc(Br)cnc1NCC1CCOC1
InChIInChI=1S/C10H14BrN3O/c11-8-3-9(12)10(14-5-8)13-4-7-1-2-15-6-7/h3,5,7H,1-2,4,6,12H2,(H,13,14)
InChIKeyGOONPHAYUHBJFP-UHFFFAOYSA-N
XLogP1.87
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.15
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-N-(oxolan-3-ylmethyl)pyridine-2,3-diamine?
The IUPAC name of 5-bromo-2-N-(oxolan-3-ylmethyl)pyridine-2,3-diamine (CID 62823635) is 5-bromo-2-N-(oxolan-3-ylmethyl)pyridine-2,3-diamine.
What is the SMILES notation for 5-bromo-2-N-(oxolan-3-ylmethyl)pyridine-2,3-diamine?
The canonical SMILES for 5-bromo-2-N-(oxolan-3-ylmethyl)pyridine-2,3-diamine is Nc1cc(Br)cnc1NCC1CCOC1.
What is the InChIKey of 5-bromo-2-N-(oxolan-3-ylmethyl)pyridine-2,3-diamine?
The InChIKey is GOONPHAYUHBJFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrN3O/c11-8-3-9(12)10(14-5-8)13-4-7-1-2-15-6-7/h3,5,7H,1-2,4,6,12H2,(H,13,14).
What are the key properties of 5-bromo-2-N-(oxolan-3-ylmethyl)pyridine-2,3-diamine?
5-bromo-2-N-(oxolan-3-ylmethyl)pyridine-2,3-diamine has a molecular weight of 272.15 g/mol, XLogP of 1.87, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-N-(oxolan-3-ylmethyl)pyridine-2,3-diamine is sourced from PubChem (CID 62823635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).