5-bromo-4-(1,2,3,4-tetrahydronaphthalen-1-yloxy)pyridin-3-amine

C15H15BrN2O — CID 103518708

IUPAC5-bromo-4-(1,2,3,4-tetrahydronaphthalen-1-yloxy)pyridin-3-amine
SMILESNc1cncc(Br)c1OC1CCCc2ccccc21
InChIInChI=1S/C15H15BrN2O/c16-12-8-18-9-13(17)15(12)19-14-7-3-5-10-4-1-2-6-11(10)14/h1-2,4,6,8-9,14H,3,5,7,17H2
InChIKeyURHOTSXLELQXSX-UHFFFAOYSA-N
MW319.20 g/mol
LogP3.88
Rot. Bonds2

About 5-bromo-4-(1,2,3,4-tetrahydronaphthalen-1-yloxy)pyridin-3-amine

5-bromo-4-(1,2,3,4-tetrahydronaphthalen-1-yloxy)pyridin-3-amine (PubChem CID 103518708) has the molecular formula C15H15BrN2O and a molecular weight of 319.20 g/mol. Its IUPAC name is 5-bromo-4-(1,2,3,4-tetrahydronaphthalen-1-yloxy)pyridin-3-amine.

Molecular Properties

Compound Name5-bromo-4-(1,2,3,4-tetrahydronaphthalen-1-yloxy)pyridin-3-amine
PubChem CID103518708
Molecular FormulaC15H15BrN2O
Molecular Weight319.20 g/mol
Exact Mass318.04
IUPAC Name5-bromo-4-(1,2,3,4-tetrahydronaphthalen-1-yloxy)pyridin-3-amine
SMILESNc1cncc(Br)c1OC1CCCc2ccccc21
InChIInChI=1S/C15H15BrN2O/c16-12-8-18-9-13(17)15(12)19-14-7-3-5-10-4-1-2-6-11(10)14/h1-2,4,6,8-9,14H,3,5,7,17H2
InChIKeyURHOTSXLELQXSX-UHFFFAOYSA-N
XLogP3.88
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.20
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-(1,2,3,4-tetrahydronaphthalen-1-yloxy)pyridin-3-amine?
The IUPAC name of 5-bromo-4-(1,2,3,4-tetrahydronaphthalen-1-yloxy)pyridin-3-amine (CID 103518708) is 5-bromo-4-(1,2,3,4-tetrahydronaphthalen-1-yloxy)pyridin-3-amine.
What is the SMILES notation for 5-bromo-4-(1,2,3,4-tetrahydronaphthalen-1-yloxy)pyridin-3-amine?
The canonical SMILES for 5-bromo-4-(1,2,3,4-tetrahydronaphthalen-1-yloxy)pyridin-3-amine is Nc1cncc(Br)c1OC1CCCc2ccccc21.
What is the InChIKey of 5-bromo-4-(1,2,3,4-tetrahydronaphthalen-1-yloxy)pyridin-3-amine?
The InChIKey is URHOTSXLELQXSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O/c16-12-8-18-9-13(17)15(12)19-14-7-3-5-10-4-1-2-6-11(10)14/h1-2,4,6,8-9,14H,3,5,7,17H2.
What are the key properties of 5-bromo-4-(1,2,3,4-tetrahydronaphthalen-1-yloxy)pyridin-3-amine?
5-bromo-4-(1,2,3,4-tetrahydronaphthalen-1-yloxy)pyridin-3-amine has a molecular weight of 319.20 g/mol, XLogP of 3.88, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-(1,2,3,4-tetrahydronaphthalen-1-yloxy)pyridin-3-amine is sourced from PubChem (CID 103518708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).