2-bromo-N-[1-(2,5-dichlorothiophen-3-yl)ethyl]pyridin-3-amine

C11H9BrCl2N2S — CID 114082836

IUPAC2-bromo-N-[1-(2,5-dichlorothiophen-3-yl)ethyl]pyridin-3-amine
SMILESCC(Nc1cccnc1Br)c1cc(Cl)sc1Cl
InChIInChI=1S/C11H9BrCl2N2S/c1-6(7-5-9(13)17-11(7)14)16-8-3-2-4-15-10(8)12/h2-6,16H,1H3
InChIKeyGZLSEQCBBCLXDG-UHFFFAOYSA-N
MW352.08 g/mol
LogP5.39
Rot. Bonds3

About 2-bromo-N-[1-(2,5-dichlorothiophen-3-yl)ethyl]pyridin-3-amine

2-bromo-N-[1-(2,5-dichlorothiophen-3-yl)ethyl]pyridin-3-amine (PubChem CID 114082836) has the molecular formula C11H9BrCl2N2S and a molecular weight of 352.08 g/mol. Its IUPAC name is 2-bromo-N-[1-(2,5-dichlorothiophen-3-yl)ethyl]pyridin-3-amine.

Molecular Properties

Compound Name2-bromo-N-[1-(2,5-dichlorothiophen-3-yl)ethyl]pyridin-3-amine
PubChem CID114082836
Molecular FormulaC11H9BrCl2N2S
Molecular Weight352.08 g/mol
Exact Mass349.90
IUPAC Name2-bromo-N-[1-(2,5-dichlorothiophen-3-yl)ethyl]pyridin-3-amine
SMILESCC(Nc1cccnc1Br)c1cc(Cl)sc1Cl
InChIInChI=1S/C11H9BrCl2N2S/c1-6(7-5-9(13)17-11(7)14)16-8-3-2-4-15-10(8)12/h2-6,16H,1H3
InChIKeyGZLSEQCBBCLXDG-UHFFFAOYSA-N
XLogP5.39
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.08
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-bromo-N-[1-(2,5-dichlorothiophen-3-yl)ethyl]aniline
CID 114082620
N-[1-(2,5-dichlorothiophen-3-yl)ethyl]-2-fluoro-3-methylaniline
CID 114254499
N-[1-(2,5-dichlorothiophen-3-yl)ethyl]-4-methylpyridin-3-amine
CID 114082718
2-chloro-N-[1-(2,5-dichlorothiophen-3-yl)ethyl]-5-methylpyridin-3-amine
CID 114082835
N-(2-bromo-3-pyridinyl)-2,5-dichlorothiophene-3-carboxamide
CID 103819199
N-[1-(2,5-dichlorothiophen-3-yl)ethyl]-3-ethyl-1-methylpyrazol-4-amine
CID 103932506
N-[1-(4-bromothiophen-2-yl)ethyl]-2-chloropyridin-3-amine
CID 107354051
2-[1-[(2-chloro-3-pyridinyl)amino]ethyl]benzene-1,4-diol
CID 43689977
N-[1-(2,5-dichlorothiophen-3-yl)ethyl]propan-1-amine
CID 43497740
2-bromo-N-(1-methoxypropan-2-yl)pyridin-3-amine
CID 103744132
1-(2,5-dichlorothiophen-3-yl)-N-ethylethanamine
CID 43493044
N-[(5-bromothiophen-2-yl)methyl]-1-(2,5-dichlorothiophen-3-yl)ethanamine
CID 114082698

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[1-(2,5-dichlorothiophen-3-yl)ethyl]pyridin-3-amine?
The IUPAC name of 2-bromo-N-[1-(2,5-dichlorothiophen-3-yl)ethyl]pyridin-3-amine (CID 114082836) is 2-bromo-N-[1-(2,5-dichlorothiophen-3-yl)ethyl]pyridin-3-amine.
What is the SMILES notation for 2-bromo-N-[1-(2,5-dichlorothiophen-3-yl)ethyl]pyridin-3-amine?
The canonical SMILES for 2-bromo-N-[1-(2,5-dichlorothiophen-3-yl)ethyl]pyridin-3-amine is CC(Nc1cccnc1Br)c1cc(Cl)sc1Cl.
What is the InChIKey of 2-bromo-N-[1-(2,5-dichlorothiophen-3-yl)ethyl]pyridin-3-amine?
The InChIKey is GZLSEQCBBCLXDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrCl2N2S/c1-6(7-5-9(13)17-11(7)14)16-8-3-2-4-15-10(8)12/h2-6,16H,1H3.
What are the key properties of 2-bromo-N-[1-(2,5-dichlorothiophen-3-yl)ethyl]pyridin-3-amine?
2-bromo-N-[1-(2,5-dichlorothiophen-3-yl)ethyl]pyridin-3-amine has a molecular weight of 352.08 g/mol, XLogP of 5.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[1-(2,5-dichlorothiophen-3-yl)ethyl]pyridin-3-amine is sourced from PubChem (CID 114082836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).