1-[(5-bromo-6-chloro-3-pyridinyl)oxymethyl]-N,N-dimethylcyclopropan-1-amine;hydrochloride

C11H15BrCl2N2O — CID 45263713

IUPAC1-[(5-bromo-6-chloro-3-pyridinyl)oxymethyl]-N,N-dimethylcyclopropan-1-amine;hydrochloride
SMILESCN(C)C1(COc2cnc(Cl)c(Br)c2)CC1.Cl
InChIInChI=1S/C11H14BrClN2O.ClH/c1-15(2)11(3-4-11)7-16-8-5-9(12)10(13)14-6-8;/h5-6H,3-4,7H2,1-2H3;1H
InChIKeyWMGLYUJWWZMAJO-UHFFFAOYSA-N
MW342.06 g/mol
LogP3.39
Rot. Bonds4

About 1-[(5-bromo-6-chloro-3-pyridinyl)oxymethyl]-N,N-dimethylcyclopropan-1-amine;hydrochloride

1-[(5-bromo-6-chloro-3-pyridinyl)oxymethyl]-N,N-dimethylcyclopropan-1-amine;hydrochloride (PubChem CID 45263713) has the molecular formula C11H15BrCl2N2O and a molecular weight of 342.06 g/mol. Its IUPAC name is 1-[(5-bromo-6-chloro-3-pyridinyl)oxymethyl]-N,N-dimethylcyclopropan-1-amine;hydrochloride.

Molecular Properties

Compound Name1-[(5-bromo-6-chloro-3-pyridinyl)oxymethyl]-N,N-dimethylcyclopropan-1-amine;hydrochloride
PubChem CID45263713
Molecular FormulaC11H15BrCl2N2O
Molecular Weight342.06 g/mol
Exact Mass339.97
IUPAC Name1-[(5-bromo-6-chloro-3-pyridinyl)oxymethyl]-N,N-dimethylcyclopropan-1-amine;hydrochloride
SMILESCN(C)C1(COc2cnc(Cl)c(Br)c2)CC1.Cl
InChIInChI=1S/C11H14BrClN2O.ClH/c1-15(2)11(3-4-11)7-16-8-5-9(12)10(13)14-6-8;/h5-6H,3-4,7H2,1-2H3;1H
InChIKeyWMGLYUJWWZMAJO-UHFFFAOYSA-N
XLogP3.39
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.06
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-bromo-6-chloro-3-pyridinyl)oxymethyl]-N,N-dimethylcyclopropan-1-amine;hydrochloride?
The IUPAC name of 1-[(5-bromo-6-chloro-3-pyridinyl)oxymethyl]-N,N-dimethylcyclopropan-1-amine;hydrochloride (CID 45263713) is 1-[(5-bromo-6-chloro-3-pyridinyl)oxymethyl]-N,N-dimethylcyclopropan-1-amine;hydrochloride.
What is the SMILES notation for 1-[(5-bromo-6-chloro-3-pyridinyl)oxymethyl]-N,N-dimethylcyclopropan-1-amine;hydrochloride?
The canonical SMILES for 1-[(5-bromo-6-chloro-3-pyridinyl)oxymethyl]-N,N-dimethylcyclopropan-1-amine;hydrochloride is CN(C)C1(COc2cnc(Cl)c(Br)c2)CC1.Cl.
What is the InChIKey of 1-[(5-bromo-6-chloro-3-pyridinyl)oxymethyl]-N,N-dimethylcyclopropan-1-amine;hydrochloride?
The InChIKey is WMGLYUJWWZMAJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrClN2O.ClH/c1-15(2)11(3-4-11)7-16-8-5-9(12)10(13)14-6-8;/h5-6H,3-4,7H2,1-2H3;1H.
What are the key properties of 1-[(5-bromo-6-chloro-3-pyridinyl)oxymethyl]-N,N-dimethylcyclopropan-1-amine;hydrochloride?
1-[(5-bromo-6-chloro-3-pyridinyl)oxymethyl]-N,N-dimethylcyclopropan-1-amine;hydrochloride has a molecular weight of 342.06 g/mol, XLogP of 3.39, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-bromo-6-chloro-3-pyridinyl)oxymethyl]-N,N-dimethylcyclopropan-1-amine;hydrochloride is sourced from PubChem (CID 45263713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).