5-bromo-N-[2-(5-chlorothiophen-2-yl)ethyl]-3-fluoropyridin-2-amine

C11H9BrClFN2S — CID 106039969

IUPAC5-bromo-N-[2-(5-chlorothiophen-2-yl)ethyl]-3-fluoropyridin-2-amine
SMILESFc1cc(Br)cnc1NCCc1ccc(Cl)s1
InChIInChI=1S/C11H9BrClFN2S/c12-7-5-9(14)11(16-6-7)15-4-3-8-1-2-10(13)17-8/h1-2,5-6H,3-4H2,(H,15,16)
InChIKeyZFFBTOFMLMLSJN-UHFFFAOYSA-N
MW335.63 g/mol
LogP4.35
Rot. Bonds4

About 5-bromo-N-[2-(5-chlorothiophen-2-yl)ethyl]-3-fluoropyridin-2-amine

5-bromo-N-[2-(5-chlorothiophen-2-yl)ethyl]-3-fluoropyridin-2-amine (PubChem CID 106039969) has the molecular formula C11H9BrClFN2S and a molecular weight of 335.63 g/mol. Its IUPAC name is 5-bromo-N-[2-(5-chlorothiophen-2-yl)ethyl]-3-fluoropyridin-2-amine.

Molecular Properties

Compound Name5-bromo-N-[2-(5-chlorothiophen-2-yl)ethyl]-3-fluoropyridin-2-amine
PubChem CID106039969
Molecular FormulaC11H9BrClFN2S
Molecular Weight335.63 g/mol
Exact Mass333.93
IUPAC Name5-bromo-N-[2-(5-chlorothiophen-2-yl)ethyl]-3-fluoropyridin-2-amine
SMILESFc1cc(Br)cnc1NCCc1ccc(Cl)s1
InChIInChI=1S/C11H9BrClFN2S/c12-7-5-9(14)11(16-6-7)15-4-3-8-1-2-10(13)17-8/h1-2,5-6H,3-4H2,(H,15,16)
InChIKeyZFFBTOFMLMLSJN-UHFFFAOYSA-N
XLogP4.35
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.63
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-bromo-2-fluorophenyl)methyl]-2-(5-chlorothiophen-2-yl)ethanamine
CID 106042182
5-bromo-3-fluoro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyridin-2-amine
CID 104924719
5-bromo-4-N-[2-(5-chlorothiophen-2-yl)ethyl]-6-N-ethylpyrimidine-4,6-diamine
CID 106042391
1-(4-bromo-2-fluorophenyl)-N-[2-(5-chlorothiophen-2-yl)ethyl]ethanamine
CID 106042044
4-bromo-1-N-[2-(5-chlorothiophen-2-yl)ethyl]-5-fluorobenzene-1,2-diamine
CID 114139337
5-bromo-3-fluoro-N-[(E)-pent-3-enyl]pyridin-2-amine
CID 104924312
2-chloro-4-N-[2-(5-chlorothiophen-2-yl)ethyl]pyrimidine-4,5-diamine
CID 114139324
5-amino-2-[2-(5-chlorothiophen-2-yl)ethylamino]pyridine-3-carboxylic acid
CID 106039624
5-bromo-3-fluoro-N-(2-methylsulfanylethyl)pyridin-2-amine
CID 104923732
5-chloro-4-[2-(5-chlorothiophen-2-yl)ethylamino]-1H-pyrimidin-6-one
CID 136908662
5-bromo-N-[2-(cyclopenten-1-yl)ethyl]-3-fluoropyridin-2-amine
CID 104925005
5-bromo-3-fluoro-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]pyridin-2-amine
CID 104924731

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-(5-chlorothiophen-2-yl)ethyl]-3-fluoropyridin-2-amine?
The IUPAC name of 5-bromo-N-[2-(5-chlorothiophen-2-yl)ethyl]-3-fluoropyridin-2-amine (CID 106039969) is 5-bromo-N-[2-(5-chlorothiophen-2-yl)ethyl]-3-fluoropyridin-2-amine.
What is the SMILES notation for 5-bromo-N-[2-(5-chlorothiophen-2-yl)ethyl]-3-fluoropyridin-2-amine?
The canonical SMILES for 5-bromo-N-[2-(5-chlorothiophen-2-yl)ethyl]-3-fluoropyridin-2-amine is Fc1cc(Br)cnc1NCCc1ccc(Cl)s1.
What is the InChIKey of 5-bromo-N-[2-(5-chlorothiophen-2-yl)ethyl]-3-fluoropyridin-2-amine?
The InChIKey is ZFFBTOFMLMLSJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrClFN2S/c12-7-5-9(14)11(16-6-7)15-4-3-8-1-2-10(13)17-8/h1-2,5-6H,3-4H2,(H,15,16).
What are the key properties of 5-bromo-N-[2-(5-chlorothiophen-2-yl)ethyl]-3-fluoropyridin-2-amine?
5-bromo-N-[2-(5-chlorothiophen-2-yl)ethyl]-3-fluoropyridin-2-amine has a molecular weight of 335.63 g/mol, XLogP of 4.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-(5-chlorothiophen-2-yl)ethyl]-3-fluoropyridin-2-amine is sourced from PubChem (CID 106039969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).