5-bromo-6-(1,3-dioxolan-2-yl)-N-ethylpyridin-2-amine

C10H13BrN2O2 — CID 122573657

IUPAC5-bromo-6-(1,3-dioxolan-2-yl)-N-ethylpyridin-2-amine
SMILESCCNc1ccc(Br)c(C2OCCO2)n1
InChIInChI=1S/C10H13BrN2O2/c1-2-12-8-4-3-7(11)9(13-8)10-14-5-6-15-10/h3-4,10H,2,5-6H2,1H3,(H,12,13)
InChIKeyITHGYMKRAMEKTM-UHFFFAOYSA-N
MW273.13 g/mol
LogP2.32
Rot. Bonds3

About 5-bromo-6-(1,3-dioxolan-2-yl)-N-ethylpyridin-2-amine

5-bromo-6-(1,3-dioxolan-2-yl)-N-ethylpyridin-2-amine (PubChem CID 122573657) has the molecular formula C10H13BrN2O2 and a molecular weight of 273.13 g/mol. Its IUPAC name is 5-bromo-6-(1,3-dioxolan-2-yl)-N-ethylpyridin-2-amine.

Molecular Properties

Compound Name5-bromo-6-(1,3-dioxolan-2-yl)-N-ethylpyridin-2-amine
PubChem CID122573657
Molecular FormulaC10H13BrN2O2
Molecular Weight273.13 g/mol
Exact Mass272.02
IUPAC Name5-bromo-6-(1,3-dioxolan-2-yl)-N-ethylpyridin-2-amine
SMILESCCNc1ccc(Br)c(C2OCCO2)n1
InChIInChI=1S/C10H13BrN2O2/c1-2-12-8-4-3-7(11)9(13-8)10-14-5-6-15-10/h3-4,10H,2,5-6H2,1H3,(H,12,13)
InChIKeyITHGYMKRAMEKTM-UHFFFAOYSA-N
XLogP2.32
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.13
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-(1,3-dioxolan-2-yl)-N-ethylpyridin-2-amine?
The IUPAC name of 5-bromo-6-(1,3-dioxolan-2-yl)-N-ethylpyridin-2-amine (CID 122573657) is 5-bromo-6-(1,3-dioxolan-2-yl)-N-ethylpyridin-2-amine.
What is the SMILES notation for 5-bromo-6-(1,3-dioxolan-2-yl)-N-ethylpyridin-2-amine?
The canonical SMILES for 5-bromo-6-(1,3-dioxolan-2-yl)-N-ethylpyridin-2-amine is CCNc1ccc(Br)c(C2OCCO2)n1.
What is the InChIKey of 5-bromo-6-(1,3-dioxolan-2-yl)-N-ethylpyridin-2-amine?
The InChIKey is ITHGYMKRAMEKTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2O2/c1-2-12-8-4-3-7(11)9(13-8)10-14-5-6-15-10/h3-4,10H,2,5-6H2,1H3,(H,12,13).
What are the key properties of 5-bromo-6-(1,3-dioxolan-2-yl)-N-ethylpyridin-2-amine?
5-bromo-6-(1,3-dioxolan-2-yl)-N-ethylpyridin-2-amine has a molecular weight of 273.13 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-(1,3-dioxolan-2-yl)-N-ethylpyridin-2-amine is sourced from PubChem (CID 122573657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).