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

C9H11BrN2O2 — CID 122573646

IUPAC5-bromo-6-(1,3-dioxolan-2-yl)-N-methylpyridin-2-amine
SMILESCNc1ccc(Br)c(C2OCCO2)n1
InChIInChI=1S/C9H11BrN2O2/c1-11-7-3-2-6(10)8(12-7)9-13-4-5-14-9/h2-3,9H,4-5H2,1H3,(H,11,12)
InChIKeySXDBJKPXDTYWEL-UHFFFAOYSA-N
MW259.10 g/mol
LogP1.93
Rot. Bonds2

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

5-bromo-6-(1,3-dioxolan-2-yl)-N-methylpyridin-2-amine (PubChem CID 122573646) has the molecular formula C9H11BrN2O2 and a molecular weight of 259.10 g/mol. Its IUPAC name is 5-bromo-6-(1,3-dioxolan-2-yl)-N-methylpyridin-2-amine.

Molecular Properties

Compound Name5-bromo-6-(1,3-dioxolan-2-yl)-N-methylpyridin-2-amine
PubChem CID122573646
Molecular FormulaC9H11BrN2O2
Molecular Weight259.10 g/mol
Exact Mass258.00
IUPAC Name5-bromo-6-(1,3-dioxolan-2-yl)-N-methylpyridin-2-amine
SMILESCNc1ccc(Br)c(C2OCCO2)n1
InChIInChI=1S/C9H11BrN2O2/c1-11-7-3-2-6(10)8(12-7)9-13-4-5-14-9/h2-3,9H,4-5H2,1H3,(H,11,12)
InChIKeySXDBJKPXDTYWEL-UHFFFAOYSA-N
XLogP1.93
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.10
LogP ≤ 51.93
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-methylpyridin-2-amine?
The IUPAC name of 5-bromo-6-(1,3-dioxolan-2-yl)-N-methylpyridin-2-amine (CID 122573646) is 5-bromo-6-(1,3-dioxolan-2-yl)-N-methylpyridin-2-amine.
What is the SMILES notation for 5-bromo-6-(1,3-dioxolan-2-yl)-N-methylpyridin-2-amine?
The canonical SMILES for 5-bromo-6-(1,3-dioxolan-2-yl)-N-methylpyridin-2-amine is CNc1ccc(Br)c(C2OCCO2)n1.
What is the InChIKey of 5-bromo-6-(1,3-dioxolan-2-yl)-N-methylpyridin-2-amine?
The InChIKey is SXDBJKPXDTYWEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrN2O2/c1-11-7-3-2-6(10)8(12-7)9-13-4-5-14-9/h2-3,9H,4-5H2,1H3,(H,11,12).
What are the key properties of 5-bromo-6-(1,3-dioxolan-2-yl)-N-methylpyridin-2-amine?
5-bromo-6-(1,3-dioxolan-2-yl)-N-methylpyridin-2-amine has a molecular weight of 259.10 g/mol, XLogP of 1.93, 2 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-methylpyridin-2-amine is sourced from PubChem (CID 122573646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).