5-bromo-N-methyl-N-(oxolan-3-ylmethyl)pyridin-2-amine

C11H15BrN2O — CID 71862349

IUPAC5-bromo-N-methyl-N-(oxolan-3-ylmethyl)pyridin-2-amine
SMILESCN(CC1CCOC1)c1ccc(Br)cn1
InChIInChI=1S/C11H15BrN2O/c1-14(7-9-4-5-15-8-9)11-3-2-10(12)6-13-11/h2-3,6,9H,4-5,7-8H2,1H3
InChIKeyQERBPAYSLSIJRE-UHFFFAOYSA-N
MW271.16 g/mol
LogP2.32
Rot. Bonds3

About 5-bromo-N-methyl-N-(oxolan-3-ylmethyl)pyridin-2-amine

5-bromo-N-methyl-N-(oxolan-3-ylmethyl)pyridin-2-amine (PubChem CID 71862349) has the molecular formula C11H15BrN2O and a molecular weight of 271.16 g/mol. Its IUPAC name is 5-bromo-N-methyl-N-(oxolan-3-ylmethyl)pyridin-2-amine.

Molecular Properties

Compound Name5-bromo-N-methyl-N-(oxolan-3-ylmethyl)pyridin-2-amine
PubChem CID71862349
Molecular FormulaC11H15BrN2O
Molecular Weight271.16 g/mol
Exact Mass270.04
IUPAC Name5-bromo-N-methyl-N-(oxolan-3-ylmethyl)pyridin-2-amine
SMILESCN(CC1CCOC1)c1ccc(Br)cn1
InChIInChI=1S/C11H15BrN2O/c1-14(7-9-4-5-15-8-9)11-3-2-10(12)6-13-11/h2-3,6,9H,4-5,7-8H2,1H3
InChIKeyQERBPAYSLSIJRE-UHFFFAOYSA-N
XLogP2.32
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.16
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-methyl-N-(oxolan-3-ylmethyl)pyridin-2-amine?
The IUPAC name of 5-bromo-N-methyl-N-(oxolan-3-ylmethyl)pyridin-2-amine (CID 71862349) is 5-bromo-N-methyl-N-(oxolan-3-ylmethyl)pyridin-2-amine.
What is the SMILES notation for 5-bromo-N-methyl-N-(oxolan-3-ylmethyl)pyridin-2-amine?
The canonical SMILES for 5-bromo-N-methyl-N-(oxolan-3-ylmethyl)pyridin-2-amine is CN(CC1CCOC1)c1ccc(Br)cn1.
What is the InChIKey of 5-bromo-N-methyl-N-(oxolan-3-ylmethyl)pyridin-2-amine?
The InChIKey is QERBPAYSLSIJRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O/c1-14(7-9-4-5-15-8-9)11-3-2-10(12)6-13-11/h2-3,6,9H,4-5,7-8H2,1H3.
What are the key properties of 5-bromo-N-methyl-N-(oxolan-3-ylmethyl)pyridin-2-amine?
5-bromo-N-methyl-N-(oxolan-3-ylmethyl)pyridin-2-amine has a molecular weight of 271.16 g/mol, XLogP of 2.32, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-methyl-N-(oxolan-3-ylmethyl)pyridin-2-amine is sourced from PubChem (CID 71862349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).