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

C11H9Br2ClN2S — CID 114052002

IUPAC5-bromo-N-[1-(5-bromothiophen-2-yl)ethyl]-2-chloropyridin-3-amine
SMILESCC(Nc1cc(Br)cnc1Cl)c1ccc(Br)s1
InChIInChI=1S/C11H9Br2ClN2S/c1-6(9-2-3-10(13)17-9)16-8-4-7(12)5-15-11(8)14/h2-6,16H,1H3
InChIKeyQHHUDLSZLVCOCQ-UHFFFAOYSA-N
MW396.54 g/mol
LogP5.49
Rot. Bonds3

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

5-bromo-N-[1-(5-bromothiophen-2-yl)ethyl]-2-chloropyridin-3-amine (PubChem CID 114052002) has the molecular formula C11H9Br2ClN2S and a molecular weight of 396.54 g/mol. Its IUPAC name is 5-bromo-N-[1-(5-bromothiophen-2-yl)ethyl]-2-chloropyridin-3-amine.

Molecular Properties

Compound Name5-bromo-N-[1-(5-bromothiophen-2-yl)ethyl]-2-chloropyridin-3-amine
PubChem CID114052002
Molecular FormulaC11H9Br2ClN2S
Molecular Weight396.54 g/mol
Exact Mass393.85
IUPAC Name5-bromo-N-[1-(5-bromothiophen-2-yl)ethyl]-2-chloropyridin-3-amine
SMILESCC(Nc1cc(Br)cnc1Cl)c1ccc(Br)s1
InChIInChI=1S/C11H9Br2ClN2S/c1-6(9-2-3-10(13)17-9)16-8-4-7(12)5-15-11(8)14/h2-6,16H,1H3
InChIKeyQHHUDLSZLVCOCQ-UHFFFAOYSA-N
XLogP5.49
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.54
LogP ≤ 55.49
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

5-bromo-N-[1-(5-bromothiophen-2-yl)ethyl]-2-fluoroaniline
CID 63423744
5-bromo-2-chloro-N-[1-(2-methylpyrazol-3-yl)ethyl]pyridin-3-amine
CID 114051921
N-[1-(5-bromothiophen-2-yl)ethyl]-3,5-dichloroaniline
CID 63422945
N-[1-(5-bromothiophen-2-yl)ethyl]-2,3-dichloroaniline
CID 63422025
5-bromo-2-chloro-N-propan-2-ylpyridin-3-amine;5-bromo-2-chloropyridin-3-amine
CID 87551023
N-[1-(5-bromothiophen-2-yl)ethyl]-2-methylpyridin-3-amine
CID 79042136
2-bromo-N-[1-(5-bromothiophen-2-yl)ethyl]-4-methylaniline
CID 63418639
5-bromo-2-chloro-N-[1-(furan-2-yl)propyl]pyridin-3-amine
CID 114051949
N-[1-(4-bromothiophen-2-yl)ethyl]-2-chloropyridin-3-amine
CID 107354051
4-[1-(5-bromothiophen-2-yl)ethylamino]-2,5-dimethylphenol
CID 106953509
N-[1-(5-bromothiophen-2-yl)ethyl]-2,4-di(propan-2-yl)aniline
CID 63434709
5-bromo-2-N-[1-(5-methylthiophen-2-yl)ethyl]pyridine-2,3-diamine
CID 54952971

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[1-(5-bromothiophen-2-yl)ethyl]-2-chloropyridin-3-amine?
The IUPAC name of 5-bromo-N-[1-(5-bromothiophen-2-yl)ethyl]-2-chloropyridin-3-amine (CID 114052002) is 5-bromo-N-[1-(5-bromothiophen-2-yl)ethyl]-2-chloropyridin-3-amine.
What is the SMILES notation for 5-bromo-N-[1-(5-bromothiophen-2-yl)ethyl]-2-chloropyridin-3-amine?
The canonical SMILES for 5-bromo-N-[1-(5-bromothiophen-2-yl)ethyl]-2-chloropyridin-3-amine is CC(Nc1cc(Br)cnc1Cl)c1ccc(Br)s1.
What is the InChIKey of 5-bromo-N-[1-(5-bromothiophen-2-yl)ethyl]-2-chloropyridin-3-amine?
The InChIKey is QHHUDLSZLVCOCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Br2ClN2S/c1-6(9-2-3-10(13)17-9)16-8-4-7(12)5-15-11(8)14/h2-6,16H,1H3.
What are the key properties of 5-bromo-N-[1-(5-bromothiophen-2-yl)ethyl]-2-chloropyridin-3-amine?
5-bromo-N-[1-(5-bromothiophen-2-yl)ethyl]-2-chloropyridin-3-amine has a molecular weight of 396.54 g/mol, XLogP of 5.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[1-(5-bromothiophen-2-yl)ethyl]-2-chloropyridin-3-amine is sourced from PubChem (CID 114052002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).