2-(5-bromothiophen-2-yl)-2-[(5-chloro-3-pyridinyl)oxy]ethanamine

C11H10BrClN2OS — CID 64602517

IUPAC2-(5-bromothiophen-2-yl)-2-[(5-chloro-3-pyridinyl)oxy]ethanamine
SMILESNCC(Oc1cncc(Cl)c1)c1ccc(Br)s1
InChIInChI=1S/C11H10BrClN2OS/c12-11-2-1-10(17-11)9(4-14)16-8-3-7(13)5-15-6-8/h1-3,5-6,9H,4,14H2
InChIKeyPQJLQTUSYCGPSF-UHFFFAOYSA-N
MW333.64 g/mol
LogP3.64
Rot. Bonds4

About 2-(5-bromothiophen-2-yl)-2-[(5-chloro-3-pyridinyl)oxy]ethanamine

2-(5-bromothiophen-2-yl)-2-[(5-chloro-3-pyridinyl)oxy]ethanamine (PubChem CID 64602517) has the molecular formula C11H10BrClN2OS and a molecular weight of 333.64 g/mol. Its IUPAC name is 2-(5-bromothiophen-2-yl)-2-[(5-chloro-3-pyridinyl)oxy]ethanamine.

Molecular Properties

Compound Name2-(5-bromothiophen-2-yl)-2-[(5-chloro-3-pyridinyl)oxy]ethanamine
PubChem CID64602517
Molecular FormulaC11H10BrClN2OS
Molecular Weight333.64 g/mol
Exact Mass331.94
IUPAC Name2-(5-bromothiophen-2-yl)-2-[(5-chloro-3-pyridinyl)oxy]ethanamine
SMILESNCC(Oc1cncc(Cl)c1)c1ccc(Br)s1
InChIInChI=1S/C11H10BrClN2OS/c12-11-2-1-10(17-11)9(4-14)16-8-3-7(13)5-15-6-8/h1-3,5-6,9H,4,14H2
InChIKeyPQJLQTUSYCGPSF-UHFFFAOYSA-N
XLogP3.64
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.64
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-bromothiophen-2-yl)-2-[(5-chloro-3-pyridinyl)oxy]ethanamine?
The IUPAC name of 2-(5-bromothiophen-2-yl)-2-[(5-chloro-3-pyridinyl)oxy]ethanamine (CID 64602517) is 2-(5-bromothiophen-2-yl)-2-[(5-chloro-3-pyridinyl)oxy]ethanamine.
What is the SMILES notation for 2-(5-bromothiophen-2-yl)-2-[(5-chloro-3-pyridinyl)oxy]ethanamine?
The canonical SMILES for 2-(5-bromothiophen-2-yl)-2-[(5-chloro-3-pyridinyl)oxy]ethanamine is NCC(Oc1cncc(Cl)c1)c1ccc(Br)s1.
What is the InChIKey of 2-(5-bromothiophen-2-yl)-2-[(5-chloro-3-pyridinyl)oxy]ethanamine?
The InChIKey is PQJLQTUSYCGPSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrClN2OS/c12-11-2-1-10(17-11)9(4-14)16-8-3-7(13)5-15-6-8/h1-3,5-6,9H,4,14H2.
What are the key properties of 2-(5-bromothiophen-2-yl)-2-[(5-chloro-3-pyridinyl)oxy]ethanamine?
2-(5-bromothiophen-2-yl)-2-[(5-chloro-3-pyridinyl)oxy]ethanamine has a molecular weight of 333.64 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromothiophen-2-yl)-2-[(5-chloro-3-pyridinyl)oxy]ethanamine is sourced from PubChem (CID 64602517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).