5-bromo-6-(4-propylphenoxy)pyridin-3-amine

C14H15BrN2O — CID 79534763

IUPAC5-bromo-6-(4-propylphenoxy)pyridin-3-amine
SMILESCCCc1ccc(Oc2ncc(N)cc2Br)cc1
InChIInChI=1S/C14H15BrN2O/c1-2-3-10-4-6-12(7-5-10)18-14-13(15)8-11(16)9-17-14/h4-9H,2-3,16H2,1H3
InChIKeyMHXCGLHISXGHFD-UHFFFAOYSA-N
MW307.19 g/mol
LogP4.17
Rot. Bonds4

About 5-bromo-6-(4-propylphenoxy)pyridin-3-amine

5-bromo-6-(4-propylphenoxy)pyridin-3-amine (PubChem CID 79534763) has the molecular formula C14H15BrN2O and a molecular weight of 307.19 g/mol. Its IUPAC name is 5-bromo-6-(4-propylphenoxy)pyridin-3-amine.

Molecular Properties

Compound Name5-bromo-6-(4-propylphenoxy)pyridin-3-amine
PubChem CID79534763
Molecular FormulaC14H15BrN2O
Molecular Weight307.19 g/mol
Exact Mass306.04
IUPAC Name5-bromo-6-(4-propylphenoxy)pyridin-3-amine
SMILESCCCc1ccc(Oc2ncc(N)cc2Br)cc1
InChIInChI=1S/C14H15BrN2O/c1-2-3-10-4-6-12(7-5-10)18-14-13(15)8-11(16)9-17-14/h4-9H,2-3,16H2,1H3
InChIKeyMHXCGLHISXGHFD-UHFFFAOYSA-N
XLogP4.17
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.19
LogP ≤ 54.17
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-propylphenoxy)pyridin-3-amine?
The IUPAC name of 5-bromo-6-(4-propylphenoxy)pyridin-3-amine (CID 79534763) is 5-bromo-6-(4-propylphenoxy)pyridin-3-amine.
What is the SMILES notation for 5-bromo-6-(4-propylphenoxy)pyridin-3-amine?
The canonical SMILES for 5-bromo-6-(4-propylphenoxy)pyridin-3-amine is CCCc1ccc(Oc2ncc(N)cc2Br)cc1.
What is the InChIKey of 5-bromo-6-(4-propylphenoxy)pyridin-3-amine?
The InChIKey is MHXCGLHISXGHFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O/c1-2-3-10-4-6-12(7-5-10)18-14-13(15)8-11(16)9-17-14/h4-9H,2-3,16H2,1H3.
What are the key properties of 5-bromo-6-(4-propylphenoxy)pyridin-3-amine?
5-bromo-6-(4-propylphenoxy)pyridin-3-amine has a molecular weight of 307.19 g/mol, XLogP of 4.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-(4-propylphenoxy)pyridin-3-amine is sourced from PubChem (CID 79534763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).