3-(4-bromo-5-chlorothiophen-2-yl)-2,5-dimethylpyrrolidine

C10H13BrClNS — CID 102844812

IUPAC3-(4-bromo-5-chlorothiophen-2-yl)-2,5-dimethylpyrrolidine
SMILESCC1CC(c2cc(Br)c(Cl)s2)C(C)N1
InChIInChI=1S/C10H13BrClNS/c1-5-3-7(6(2)13-5)9-4-8(11)10(12)14-9/h4-7,13H,3H2,1-2H3
InChIKeyZTTQWSSKZLNYFD-UHFFFAOYSA-N
MW294.65 g/mol
LogP4.02
Rot. Bonds1

About 3-(4-bromo-5-chlorothiophen-2-yl)-2,5-dimethylpyrrolidine

3-(4-bromo-5-chlorothiophen-2-yl)-2,5-dimethylpyrrolidine (PubChem CID 102844812) has the molecular formula C10H13BrClNS and a molecular weight of 294.65 g/mol. Its IUPAC name is 3-(4-bromo-5-chlorothiophen-2-yl)-2,5-dimethylpyrrolidine.

Molecular Properties

Compound Name3-(4-bromo-5-chlorothiophen-2-yl)-2,5-dimethylpyrrolidine
PubChem CID102844812
Molecular FormulaC10H13BrClNS
Molecular Weight294.65 g/mol
Exact Mass292.96
IUPAC Name3-(4-bromo-5-chlorothiophen-2-yl)-2,5-dimethylpyrrolidine
SMILESCC1CC(c2cc(Br)c(Cl)s2)C(C)N1
InChIInChI=1S/C10H13BrClNS/c1-5-3-7(6(2)13-5)9-4-8(11)10(12)14-9/h4-7,13H,3H2,1-2H3
InChIKeyZTTQWSSKZLNYFD-UHFFFAOYSA-N
XLogP4.02
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.65
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-bromo-5-chlorothiophen-2-yl)-2-ethyl-5-methylpyrrolidine
CID 102844815
4-(4-bromo-5-chlorothiophen-2-yl)-3-(4-bromophenyl)piperidine
CID 102845481
5-(4-bromo-5-chlorothiophen-2-yl)oxolan-2-one
CID 103439847
3-(4-bromo-5-chlorothiophen-2-yl)morpholine
CID 130880379
4-bromo-5-chlorothiophene-2-thiol
CID 102829034
3-bromo-2-chloro-5-methylthiophene
CID 20732074
3-bromo-5-[bromo-(3-methyl-1-adamantyl)methyl]-2-chlorothiophene
CID 102836935
(4R)-2-(4-bromo-5-chlorothiophen-2-yl)-6-chloro-3,4-dihydro-2H-chromen-4-amine
CID 102846110
3-bromo-5-[bromo-(3,5-dimethyl-1-adamantyl)methyl]-2-chlorothiophene
CID 102837057
5-(4-bromo-5-chlorothiophen-2-yl)-2-propyliminoimidazolidin-4-one
CID 136964622
3-(4-chlorothiophen-2-yl)-2-ethyl-5-methylpyrrolidine
CID 79427011
5-[1-adamantyl(bromo)methyl]-3-bromo-2-chlorothiophene
CID 102836789

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromo-5-chlorothiophen-2-yl)-2,5-dimethylpyrrolidine?
The IUPAC name of 3-(4-bromo-5-chlorothiophen-2-yl)-2,5-dimethylpyrrolidine (CID 102844812) is 3-(4-bromo-5-chlorothiophen-2-yl)-2,5-dimethylpyrrolidine.
What is the SMILES notation for 3-(4-bromo-5-chlorothiophen-2-yl)-2,5-dimethylpyrrolidine?
The canonical SMILES for 3-(4-bromo-5-chlorothiophen-2-yl)-2,5-dimethylpyrrolidine is CC1CC(c2cc(Br)c(Cl)s2)C(C)N1.
What is the InChIKey of 3-(4-bromo-5-chlorothiophen-2-yl)-2,5-dimethylpyrrolidine?
The InChIKey is ZTTQWSSKZLNYFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrClNS/c1-5-3-7(6(2)13-5)9-4-8(11)10(12)14-9/h4-7,13H,3H2,1-2H3.
What are the key properties of 3-(4-bromo-5-chlorothiophen-2-yl)-2,5-dimethylpyrrolidine?
3-(4-bromo-5-chlorothiophen-2-yl)-2,5-dimethylpyrrolidine has a molecular weight of 294.65 g/mol, XLogP of 4.02, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromo-5-chlorothiophen-2-yl)-2,5-dimethylpyrrolidine is sourced from PubChem (CID 102844812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).