1-(5-bromothiophen-3-yl)-2-pyridin-2-ylethanamine

C11H11BrN2S — CID 105158058

IUPAC1-(5-bromothiophen-3-yl)-2-pyridin-2-ylethanamine
SMILESNC(Cc1ccccn1)c1csc(Br)c1
InChIInChI=1S/C11H11BrN2S/c12-11-5-8(7-15-11)10(13)6-9-3-1-2-4-14-9/h1-5,7,10H,6,13H2
InChIKeyGXHZSOLWECDGJA-UHFFFAOYSA-N
MW283.19 g/mol
LogP3.15
Rot. Bonds3

About 1-(5-bromothiophen-3-yl)-2-pyridin-2-ylethanamine

1-(5-bromothiophen-3-yl)-2-pyridin-2-ylethanamine (PubChem CID 105158058) has the molecular formula C11H11BrN2S and a molecular weight of 283.19 g/mol. Its IUPAC name is 1-(5-bromothiophen-3-yl)-2-pyridin-2-ylethanamine.

Molecular Properties

Compound Name1-(5-bromothiophen-3-yl)-2-pyridin-2-ylethanamine
PubChem CID105158058
Molecular FormulaC11H11BrN2S
Molecular Weight283.19 g/mol
Exact Mass281.98
IUPAC Name1-(5-bromothiophen-3-yl)-2-pyridin-2-ylethanamine
SMILESNC(Cc1ccccn1)c1csc(Br)c1
InChIInChI=1S/C11H11BrN2S/c12-11-5-8(7-15-11)10(13)6-9-3-1-2-4-14-9/h1-5,7,10H,6,13H2
InChIKeyGXHZSOLWECDGJA-UHFFFAOYSA-N
XLogP3.15
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.19
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-2-pyridin-2-yl-1-pyridin-3-ylethanamine
CID 93256959
(1S)-1-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridin-2-ylethanamine
CID 162640474
1-(5-bromothiophen-3-yl)-2-(4-phenyl-1,3-thiazol-2-yl)ethanamine
CID 105164416
2-(4-bromophenyl)-1-(5-bromothiophen-3-yl)ethanamine
CID 105089162
1-(3-fluoro-5-methylphenyl)-2-pyridin-2-ylethanamine
CID 79703275
1-(4,5-dimethylthiophen-2-yl)-2-pyridin-2-ylethanamine
CID 65239417
1-(3-fluoro-4-methylphenyl)-2-pyridin-2-ylethanamine
CID 43118868
1-(5-bromothiophen-3-yl)-2-(4-iodophenyl)ethanamine
CID 105151941
1-(1,3-dihydro-2-benzofuran-5-yl)-2-pyridin-2-ylethanamine
CID 63744022
1-(5-bromothiophen-3-yl)-2-(3-methylphenyl)ethanamine
CID 105091201
1-(5-bromothiophen-3-yl)-2-(3-fluorophenyl)ethanamine
CID 105095905
1-(5-bromothiophen-3-yl)-2-(2,3-difluorophenyl)ethanamine
CID 105137743

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromothiophen-3-yl)-2-pyridin-2-ylethanamine?
The IUPAC name of 1-(5-bromothiophen-3-yl)-2-pyridin-2-ylethanamine (CID 105158058) is 1-(5-bromothiophen-3-yl)-2-pyridin-2-ylethanamine.
What is the SMILES notation for 1-(5-bromothiophen-3-yl)-2-pyridin-2-ylethanamine?
The canonical SMILES for 1-(5-bromothiophen-3-yl)-2-pyridin-2-ylethanamine is NC(Cc1ccccn1)c1csc(Br)c1.
What is the InChIKey of 1-(5-bromothiophen-3-yl)-2-pyridin-2-ylethanamine?
The InChIKey is GXHZSOLWECDGJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2S/c12-11-5-8(7-15-11)10(13)6-9-3-1-2-4-14-9/h1-5,7,10H,6,13H2.
What are the key properties of 1-(5-bromothiophen-3-yl)-2-pyridin-2-ylethanamine?
1-(5-bromothiophen-3-yl)-2-pyridin-2-ylethanamine has a molecular weight of 283.19 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromothiophen-3-yl)-2-pyridin-2-ylethanamine is sourced from PubChem (CID 105158058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).