N-[2-(5-bromothiophen-2-yl)ethyl]-6-methoxypyridin-2-amine

C12H13BrN2OS — CID 114140674

IUPACN-[2-(5-bromothiophen-2-yl)ethyl]-6-methoxypyridin-2-amine
SMILESCOc1cccc(NCCc2ccc(Br)s2)n1
InChIInChI=1S/C12H13BrN2OS/c1-16-12-4-2-3-11(15-12)14-8-7-9-5-6-10(13)17-9/h2-6H,7-8H2,1H3,(H,14,15)
InChIKeyUDRRVGLDXHWNLC-UHFFFAOYSA-N
MW313.22 g/mol
LogP3.57
Rot. Bonds5

About N-[2-(5-bromothiophen-2-yl)ethyl]-6-methoxypyridin-2-amine

N-[2-(5-bromothiophen-2-yl)ethyl]-6-methoxypyridin-2-amine (PubChem CID 114140674) has the molecular formula C12H13BrN2OS and a molecular weight of 313.22 g/mol. Its IUPAC name is N-[2-(5-bromothiophen-2-yl)ethyl]-6-methoxypyridin-2-amine.

Molecular Properties

Compound NameN-[2-(5-bromothiophen-2-yl)ethyl]-6-methoxypyridin-2-amine
PubChem CID114140674
Molecular FormulaC12H13BrN2OS
Molecular Weight313.22 g/mol
Exact Mass311.99
IUPAC NameN-[2-(5-bromothiophen-2-yl)ethyl]-6-methoxypyridin-2-amine
SMILESCOc1cccc(NCCc2ccc(Br)s2)n1
InChIInChI=1S/C12H13BrN2OS/c1-16-12-4-2-3-11(15-12)14-8-7-9-5-6-10(13)17-9/h2-6H,7-8H2,1H3,(H,14,15)
InChIKeyUDRRVGLDXHWNLC-UHFFFAOYSA-N
XLogP3.57
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.22
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-bromothiophen-2-yl)-N-[(6-methoxy-2-pyridinyl)methyl]ethanamine
CID 103527080
6-[2-(5-bromothiophen-2-yl)ethylamino]pyridine-2-carbothioamide
CID 106036602
6-methoxy-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyridin-2-amine
CID 114186357
6-methoxy-N-[2-(2-methylphenyl)ethyl]pyridin-2-amine
CID 79756545
4-N-[2-(5-bromothiophen-2-yl)ethyl]-2-tert-butyl-6-N-methylpyrimidine-4,6-diamine
CID 106043263
6-methoxy-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyridin-2-amine
CID 114186380
6-methoxy-N-(2-pyridin-2-ylethyl)pyridin-2-amine
CID 63591274
6-methoxy-N-(2-methylsulfanylethyl)pyridin-2-amine
CID 63965022
6-methoxy-N-(2-propan-2-yloxyethyl)pyridin-2-amine
CID 104762395
N-[2-(5-bromothiophen-2-yl)ethyl]-2-hydrazinylpyrimidin-4-amine
CID 106044018
6-methoxy-N-(3-methylsulfanylpropyl)pyridin-2-amine
CID 63965720
6-[(6-methoxy-2-pyridinyl)amino]hexan-1-ol
CID 107848852

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-bromothiophen-2-yl)ethyl]-6-methoxypyridin-2-amine?
The IUPAC name of N-[2-(5-bromothiophen-2-yl)ethyl]-6-methoxypyridin-2-amine (CID 114140674) is N-[2-(5-bromothiophen-2-yl)ethyl]-6-methoxypyridin-2-amine.
What is the SMILES notation for N-[2-(5-bromothiophen-2-yl)ethyl]-6-methoxypyridin-2-amine?
The canonical SMILES for N-[2-(5-bromothiophen-2-yl)ethyl]-6-methoxypyridin-2-amine is COc1cccc(NCCc2ccc(Br)s2)n1.
What is the InChIKey of N-[2-(5-bromothiophen-2-yl)ethyl]-6-methoxypyridin-2-amine?
The InChIKey is UDRRVGLDXHWNLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN2OS/c1-16-12-4-2-3-11(15-12)14-8-7-9-5-6-10(13)17-9/h2-6H,7-8H2,1H3,(H,14,15).
What are the key properties of N-[2-(5-bromothiophen-2-yl)ethyl]-6-methoxypyridin-2-amine?
N-[2-(5-bromothiophen-2-yl)ethyl]-6-methoxypyridin-2-amine has a molecular weight of 313.22 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-bromothiophen-2-yl)ethyl]-6-methoxypyridin-2-amine is sourced from PubChem (CID 114140674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).