5-bromo-N-(3-ethyloxolan-3-yl)pyridin-2-amine

C11H15BrN2O — CID 130610275

IUPAC5-bromo-N-(3-ethyloxolan-3-yl)pyridin-2-amine
SMILESCCC1(Nc2ccc(Br)cn2)CCOC1
InChIInChI=1S/C11H15BrN2O/c1-2-11(5-6-15-8-11)14-10-4-3-9(12)7-13-10/h3-4,7H,2,5-6,8H2,1H3,(H,13,14)
InChIKeyZYAJASHCFQJNTI-UHFFFAOYSA-N
MW271.16 g/mol
LogP2.83
Rot. Bonds3

About 5-bromo-N-(3-ethyloxolan-3-yl)pyridin-2-amine

5-bromo-N-(3-ethyloxolan-3-yl)pyridin-2-amine (PubChem CID 130610275) has the molecular formula C11H15BrN2O and a molecular weight of 271.16 g/mol. Its IUPAC name is 5-bromo-N-(3-ethyloxolan-3-yl)pyridin-2-amine.

Molecular Properties

Compound Name5-bromo-N-(3-ethyloxolan-3-yl)pyridin-2-amine
PubChem CID130610275
Molecular FormulaC11H15BrN2O
Molecular Weight271.16 g/mol
Exact Mass270.04
IUPAC Name5-bromo-N-(3-ethyloxolan-3-yl)pyridin-2-amine
SMILESCCC1(Nc2ccc(Br)cn2)CCOC1
InChIInChI=1S/C11H15BrN2O/c1-2-11(5-6-15-8-11)14-10-4-3-9(12)7-13-10/h3-4,7H,2,5-6,8H2,1H3,(H,13,14)
InChIKeyZYAJASHCFQJNTI-UHFFFAOYSA-N
XLogP2.83
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.16
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(3-ethyloxolan-3-yl)pyridin-2-amine?
The IUPAC name of 5-bromo-N-(3-ethyloxolan-3-yl)pyridin-2-amine (CID 130610275) is 5-bromo-N-(3-ethyloxolan-3-yl)pyridin-2-amine.
What is the SMILES notation for 5-bromo-N-(3-ethyloxolan-3-yl)pyridin-2-amine?
The canonical SMILES for 5-bromo-N-(3-ethyloxolan-3-yl)pyridin-2-amine is CCC1(Nc2ccc(Br)cn2)CCOC1.
What is the InChIKey of 5-bromo-N-(3-ethyloxolan-3-yl)pyridin-2-amine?
The InChIKey is ZYAJASHCFQJNTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O/c1-2-11(5-6-15-8-11)14-10-4-3-9(12)7-13-10/h3-4,7H,2,5-6,8H2,1H3,(H,13,14).
What are the key properties of 5-bromo-N-(3-ethyloxolan-3-yl)pyridin-2-amine?
5-bromo-N-(3-ethyloxolan-3-yl)pyridin-2-amine has a molecular weight of 271.16 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(3-ethyloxolan-3-yl)pyridin-2-amine is sourced from PubChem (CID 130610275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).