5-bromo-3-ethoxy-N-(6-methyl-2-pyridinyl)pyridin-2-amine

C13H14BrN3O — CID 11415580

IUPAC5-bromo-3-ethoxy-N-(6-methyl-2-pyridinyl)pyridin-2-amine
SMILESCCOc1cc(Br)cnc1Nc1cccc(C)n1
InChIInChI=1S/C13H14BrN3O/c1-3-18-11-7-10(14)8-15-13(11)17-12-6-4-5-9(2)16-12/h4-8H,3H2,1-2H3,(H,15,16,17)
InChIKeyJJRWFNDSSULAFZ-UHFFFAOYSA-N
MW308.18 g/mol
LogP3.69
Rot. Bonds4

About 5-bromo-3-ethoxy-N-(6-methyl-2-pyridinyl)pyridin-2-amine

5-bromo-3-ethoxy-N-(6-methyl-2-pyridinyl)pyridin-2-amine (PubChem CID 11415580) has the molecular formula C13H14BrN3O and a molecular weight of 308.18 g/mol. Its IUPAC name is 5-bromo-3-ethoxy-N-(6-methyl-2-pyridinyl)pyridin-2-amine.

Molecular Properties

Compound Name5-bromo-3-ethoxy-N-(6-methyl-2-pyridinyl)pyridin-2-amine
PubChem CID11415580
Molecular FormulaC13H14BrN3O
Molecular Weight308.18 g/mol
Exact Mass307.03
IUPAC Name5-bromo-3-ethoxy-N-(6-methyl-2-pyridinyl)pyridin-2-amine
SMILESCCOc1cc(Br)cnc1Nc1cccc(C)n1
InChIInChI=1S/C13H14BrN3O/c1-3-18-11-7-10(14)8-15-13(11)17-12-6-4-5-9(2)16-12/h4-8H,3H2,1-2H3,(H,15,16,17)
InChIKeyJJRWFNDSSULAFZ-UHFFFAOYSA-N
XLogP3.69
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.18
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-ethoxy-N-(6-methyl-2-pyridinyl)pyridin-2-amine?
The IUPAC name of 5-bromo-3-ethoxy-N-(6-methyl-2-pyridinyl)pyridin-2-amine (CID 11415580) is 5-bromo-3-ethoxy-N-(6-methyl-2-pyridinyl)pyridin-2-amine.
What is the SMILES notation for 5-bromo-3-ethoxy-N-(6-methyl-2-pyridinyl)pyridin-2-amine?
The canonical SMILES for 5-bromo-3-ethoxy-N-(6-methyl-2-pyridinyl)pyridin-2-amine is CCOc1cc(Br)cnc1Nc1cccc(C)n1.
What is the InChIKey of 5-bromo-3-ethoxy-N-(6-methyl-2-pyridinyl)pyridin-2-amine?
The InChIKey is JJRWFNDSSULAFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN3O/c1-3-18-11-7-10(14)8-15-13(11)17-12-6-4-5-9(2)16-12/h4-8H,3H2,1-2H3,(H,15,16,17).
What are the key properties of 5-bromo-3-ethoxy-N-(6-methyl-2-pyridinyl)pyridin-2-amine?
5-bromo-3-ethoxy-N-(6-methyl-2-pyridinyl)pyridin-2-amine has a molecular weight of 308.18 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-ethoxy-N-(6-methyl-2-pyridinyl)pyridin-2-amine is sourced from PubChem (CID 11415580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).