N-[1-(5-bromothiophen-2-yl)ethyl]-2-methylpyridin-3-amine

C12H13BrN2S — CID 79042136

IUPACN-[1-(5-bromothiophen-2-yl)ethyl]-2-methylpyridin-3-amine
SMILESCc1ncccc1NC(C)c1ccc(Br)s1
InChIInChI=1S/C12H13BrN2S/c1-8-10(4-3-7-14-8)15-9(2)11-5-6-12(13)16-11/h3-7,9,15H,1-2H3
InChIKeyCHLHQKSOMPWCIL-UHFFFAOYSA-N
MW297.22 g/mol
LogP4.39
Rot. Bonds3

About N-[1-(5-bromothiophen-2-yl)ethyl]-2-methylpyridin-3-amine

N-[1-(5-bromothiophen-2-yl)ethyl]-2-methylpyridin-3-amine (PubChem CID 79042136) has the molecular formula C12H13BrN2S and a molecular weight of 297.22 g/mol. Its IUPAC name is N-[1-(5-bromothiophen-2-yl)ethyl]-2-methylpyridin-3-amine.

Molecular Properties

Compound NameN-[1-(5-bromothiophen-2-yl)ethyl]-2-methylpyridin-3-amine
PubChem CID79042136
Molecular FormulaC12H13BrN2S
Molecular Weight297.22 g/mol
Exact Mass296.00
IUPAC NameN-[1-(5-bromothiophen-2-yl)ethyl]-2-methylpyridin-3-amine
SMILESCc1ncccc1NC(C)c1ccc(Br)s1
InChIInChI=1S/C12H13BrN2S/c1-8-10(4-3-7-14-8)15-9(2)11-5-6-12(13)16-11/h3-7,9,15H,1-2H3
InChIKeyCHLHQKSOMPWCIL-UHFFFAOYSA-N
XLogP4.39
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.22
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(5-bromothiophen-2-yl)ethyl]-2-methylpyridin-3-amine?
The IUPAC name of N-[1-(5-bromothiophen-2-yl)ethyl]-2-methylpyridin-3-amine (CID 79042136) is N-[1-(5-bromothiophen-2-yl)ethyl]-2-methylpyridin-3-amine.
What is the SMILES notation for N-[1-(5-bromothiophen-2-yl)ethyl]-2-methylpyridin-3-amine?
The canonical SMILES for N-[1-(5-bromothiophen-2-yl)ethyl]-2-methylpyridin-3-amine is Cc1ncccc1NC(C)c1ccc(Br)s1.
What is the InChIKey of N-[1-(5-bromothiophen-2-yl)ethyl]-2-methylpyridin-3-amine?
The InChIKey is CHLHQKSOMPWCIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN2S/c1-8-10(4-3-7-14-8)15-9(2)11-5-6-12(13)16-11/h3-7,9,15H,1-2H3.
What are the key properties of N-[1-(5-bromothiophen-2-yl)ethyl]-2-methylpyridin-3-amine?
N-[1-(5-bromothiophen-2-yl)ethyl]-2-methylpyridin-3-amine has a molecular weight of 297.22 g/mol, XLogP of 4.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-bromothiophen-2-yl)ethyl]-2-methylpyridin-3-amine is sourced from PubChem (CID 79042136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).