2-[(5-bromo-3-pyridinyl)oxymethyl]-N-ethylpyridin-4-amine

C13H14BrN3O — CID 79259695

IUPAC2-[(5-bromo-3-pyridinyl)oxymethyl]-N-ethylpyridin-4-amine
SMILESCCNc1ccnc(COc2cncc(Br)c2)c1
InChIInChI=1S/C13H14BrN3O/c1-2-16-11-3-4-17-12(6-11)9-18-13-5-10(14)7-15-8-13/h3-8H,2,9H2,1H3,(H,16,17)
InChIKeyQTJJJTJMAOKGJY-UHFFFAOYSA-N
MW308.18 g/mol
LogP3.25
Rot. Bonds5

About 2-[(5-bromo-3-pyridinyl)oxymethyl]-N-ethylpyridin-4-amine

2-[(5-bromo-3-pyridinyl)oxymethyl]-N-ethylpyridin-4-amine (PubChem CID 79259695) has the molecular formula C13H14BrN3O and a molecular weight of 308.18 g/mol. Its IUPAC name is 2-[(5-bromo-3-pyridinyl)oxymethyl]-N-ethylpyridin-4-amine.

Molecular Properties

Compound Name2-[(5-bromo-3-pyridinyl)oxymethyl]-N-ethylpyridin-4-amine
PubChem CID79259695
Molecular FormulaC13H14BrN3O
Molecular Weight308.18 g/mol
Exact Mass307.03
IUPAC Name2-[(5-bromo-3-pyridinyl)oxymethyl]-N-ethylpyridin-4-amine
SMILESCCNc1ccnc(COc2cncc(Br)c2)c1
InChIInChI=1S/C13H14BrN3O/c1-2-16-11-3-4-17-12(6-11)9-18-13-5-10(14)7-15-8-13/h3-8H,2,9H2,1H3,(H,16,17)
InChIKeyQTJJJTJMAOKGJY-UHFFFAOYSA-N
XLogP3.25
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.18
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-3-pyridinyl)oxymethyl]-N-ethylpyridin-4-amine?
The IUPAC name of 2-[(5-bromo-3-pyridinyl)oxymethyl]-N-ethylpyridin-4-amine (CID 79259695) is 2-[(5-bromo-3-pyridinyl)oxymethyl]-N-ethylpyridin-4-amine.
What is the SMILES notation for 2-[(5-bromo-3-pyridinyl)oxymethyl]-N-ethylpyridin-4-amine?
The canonical SMILES for 2-[(5-bromo-3-pyridinyl)oxymethyl]-N-ethylpyridin-4-amine is CCNc1ccnc(COc2cncc(Br)c2)c1.
What is the InChIKey of 2-[(5-bromo-3-pyridinyl)oxymethyl]-N-ethylpyridin-4-amine?
The InChIKey is QTJJJTJMAOKGJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN3O/c1-2-16-11-3-4-17-12(6-11)9-18-13-5-10(14)7-15-8-13/h3-8H,2,9H2,1H3,(H,16,17).
What are the key properties of 2-[(5-bromo-3-pyridinyl)oxymethyl]-N-ethylpyridin-4-amine?
2-[(5-bromo-3-pyridinyl)oxymethyl]-N-ethylpyridin-4-amine has a molecular weight of 308.18 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromo-3-pyridinyl)oxymethyl]-N-ethylpyridin-4-amine is sourced from PubChem (CID 79259695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).