[5-[(5-bromo-3-pyridinyl)oxymethyl]thiophen-2-yl]methanamine

C11H11BrN2OS — CID 107558968

IUPAC[5-[(5-bromo-3-pyridinyl)oxymethyl]thiophen-2-yl]methanamine
SMILESNCc1ccc(COc2cncc(Br)c2)s1
InChIInChI=1S/C11H11BrN2OS/c12-8-3-9(6-14-5-8)15-7-11-2-1-10(4-13)16-11/h1-3,5-6H,4,7,13H2
InChIKeyOKPGYSONEJWDSC-UHFFFAOYSA-N
MW299.19 g/mol
LogP2.94
Rot. Bonds4

About [5-[(5-bromo-3-pyridinyl)oxymethyl]thiophen-2-yl]methanamine

[5-[(5-bromo-3-pyridinyl)oxymethyl]thiophen-2-yl]methanamine (PubChem CID 107558968) has the molecular formula C11H11BrN2OS and a molecular weight of 299.19 g/mol. Its IUPAC name is [5-[(5-bromo-3-pyridinyl)oxymethyl]thiophen-2-yl]methanamine.

Molecular Properties

Compound Name[5-[(5-bromo-3-pyridinyl)oxymethyl]thiophen-2-yl]methanamine
PubChem CID107558968
Molecular FormulaC11H11BrN2OS
Molecular Weight299.19 g/mol
Exact Mass297.98
IUPAC Name[5-[(5-bromo-3-pyridinyl)oxymethyl]thiophen-2-yl]methanamine
SMILESNCc1ccc(COc2cncc(Br)c2)s1
InChIInChI=1S/C11H11BrN2OS/c12-8-3-9(6-14-5-8)15-7-11-2-1-10(4-13)16-11/h1-3,5-6H,4,7,13H2
InChIKeyOKPGYSONEJWDSC-UHFFFAOYSA-N
XLogP2.94
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.19
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-[(5-bromo-3-pyridinyl)oxymethyl]thiophen-2-yl]methanamine?
The IUPAC name of [5-[(5-bromo-3-pyridinyl)oxymethyl]thiophen-2-yl]methanamine (CID 107558968) is [5-[(5-bromo-3-pyridinyl)oxymethyl]thiophen-2-yl]methanamine.
What is the SMILES notation for [5-[(5-bromo-3-pyridinyl)oxymethyl]thiophen-2-yl]methanamine?
The canonical SMILES for [5-[(5-bromo-3-pyridinyl)oxymethyl]thiophen-2-yl]methanamine is NCc1ccc(COc2cncc(Br)c2)s1.
What is the InChIKey of [5-[(5-bromo-3-pyridinyl)oxymethyl]thiophen-2-yl]methanamine?
The InChIKey is OKPGYSONEJWDSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2OS/c12-8-3-9(6-14-5-8)15-7-11-2-1-10(4-13)16-11/h1-3,5-6H,4,7,13H2.
What are the key properties of [5-[(5-bromo-3-pyridinyl)oxymethyl]thiophen-2-yl]methanamine?
[5-[(5-bromo-3-pyridinyl)oxymethyl]thiophen-2-yl]methanamine has a molecular weight of 299.19 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(5-bromo-3-pyridinyl)oxymethyl]thiophen-2-yl]methanamine is sourced from PubChem (CID 107558968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).