3-bromo-N-(2-methoxyethyl)-N-methylpyridin-2-amine

C9H13BrN2O — CID 61428057

IUPAC3-bromo-N-(2-methoxyethyl)-N-methylpyridin-2-amine
SMILESCOCCN(C)c1ncccc1Br
InChIInChI=1S/C9H13BrN2O/c1-12(6-7-13-2)9-8(10)4-3-5-11-9/h3-5H,6-7H2,1-2H3
InChIKeyWOHLSQPNKLXIJJ-UHFFFAOYSA-N
MW245.12 g/mol
LogP1.93
Rot. Bonds4

About 3-bromo-N-(2-methoxyethyl)-N-methylpyridin-2-amine

3-bromo-N-(2-methoxyethyl)-N-methylpyridin-2-amine (PubChem CID 61428057) has the molecular formula C9H13BrN2O and a molecular weight of 245.12 g/mol. Its IUPAC name is 3-bromo-N-(2-methoxyethyl)-N-methylpyridin-2-amine.

Molecular Properties

Compound Name3-bromo-N-(2-methoxyethyl)-N-methylpyridin-2-amine
PubChem CID61428057
Molecular FormulaC9H13BrN2O
Molecular Weight245.12 g/mol
Exact Mass244.02
IUPAC Name3-bromo-N-(2-methoxyethyl)-N-methylpyridin-2-amine
SMILESCOCCN(C)c1ncccc1Br
InChIInChI=1S/C9H13BrN2O/c1-12(6-7-13-2)9-8(10)4-3-5-11-9/h3-5H,6-7H2,1-2H3
InChIKeyWOHLSQPNKLXIJJ-UHFFFAOYSA-N
XLogP1.93
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.12
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(2-methoxyethyl)-N-methylpyridin-2-amine?
The IUPAC name of 3-bromo-N-(2-methoxyethyl)-N-methylpyridin-2-amine (CID 61428057) is 3-bromo-N-(2-methoxyethyl)-N-methylpyridin-2-amine.
What is the SMILES notation for 3-bromo-N-(2-methoxyethyl)-N-methylpyridin-2-amine?
The canonical SMILES for 3-bromo-N-(2-methoxyethyl)-N-methylpyridin-2-amine is COCCN(C)c1ncccc1Br.
What is the InChIKey of 3-bromo-N-(2-methoxyethyl)-N-methylpyridin-2-amine?
The InChIKey is WOHLSQPNKLXIJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13BrN2O/c1-12(6-7-13-2)9-8(10)4-3-5-11-9/h3-5H,6-7H2,1-2H3.
What are the key properties of 3-bromo-N-(2-methoxyethyl)-N-methylpyridin-2-amine?
3-bromo-N-(2-methoxyethyl)-N-methylpyridin-2-amine has a molecular weight of 245.12 g/mol, XLogP of 1.93, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(2-methoxyethyl)-N-methylpyridin-2-amine is sourced from PubChem (CID 61428057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).