5-bromo-3-(methoxymethyl)pyridin-2-amine

C7H9BrN2O — CID 84682381

IUPAC5-bromo-3-(methoxymethyl)pyridin-2-amine
SMILESCOCc1cc(Br)cnc1N
InChIInChI=1S/C7H9BrN2O/c1-11-4-5-2-6(8)3-10-7(5)9/h2-3H,4H2,1H3,(H2,9,10)
InChIKeyRFLIOAXKGXLLNC-UHFFFAOYSA-N
MW217.07 g/mol
LogP1.57
Rot. Bonds2

About 5-bromo-3-(methoxymethyl)pyridin-2-amine

5-bromo-3-(methoxymethyl)pyridin-2-amine (PubChem CID 84682381) has the molecular formula C7H9BrN2O and a molecular weight of 217.07 g/mol. Its IUPAC name is 5-bromo-3-(methoxymethyl)pyridin-2-amine.

Molecular Properties

Compound Name5-bromo-3-(methoxymethyl)pyridin-2-amine
PubChem CID84682381
Molecular FormulaC7H9BrN2O
Molecular Weight217.07 g/mol
Exact Mass215.99
IUPAC Name5-bromo-3-(methoxymethyl)pyridin-2-amine
SMILESCOCc1cc(Br)cnc1N
InChIInChI=1S/C7H9BrN2O/c1-11-4-5-2-6(8)3-10-7(5)9/h2-3H,4H2,1H3,(H2,9,10)
InChIKeyRFLIOAXKGXLLNC-UHFFFAOYSA-N
XLogP1.57
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.07
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-(methoxymethyl)pyridin-2-amine?
The IUPAC name of 5-bromo-3-(methoxymethyl)pyridin-2-amine (CID 84682381) is 5-bromo-3-(methoxymethyl)pyridin-2-amine.
What is the SMILES notation for 5-bromo-3-(methoxymethyl)pyridin-2-amine?
The canonical SMILES for 5-bromo-3-(methoxymethyl)pyridin-2-amine is COCc1cc(Br)cnc1N.
What is the InChIKey of 5-bromo-3-(methoxymethyl)pyridin-2-amine?
The InChIKey is RFLIOAXKGXLLNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9BrN2O/c1-11-4-5-2-6(8)3-10-7(5)9/h2-3H,4H2,1H3,(H2,9,10).
What are the key properties of 5-bromo-3-(methoxymethyl)pyridin-2-amine?
5-bromo-3-(methoxymethyl)pyridin-2-amine has a molecular weight of 217.07 g/mol, XLogP of 1.57, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-(methoxymethyl)pyridin-2-amine is sourced from PubChem (CID 84682381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).