4-[2-chloro-2-(4,5-dibromothiophen-2-yl)ethyl]pyridine

C11H8Br2ClNS — CID 80538308

IUPAC4-[2-chloro-2-(4,5-dibromothiophen-2-yl)ethyl]pyridine
SMILESClC(Cc1ccncc1)c1cc(Br)c(Br)s1
InChIInChI=1S/C11H8Br2ClNS/c12-8-6-10(16-11(8)13)9(14)5-7-1-3-15-4-2-7/h1-4,6,9H,5H2
InChIKeyFGKPRIHQZJVXBI-UHFFFAOYSA-N
MW381.52 g/mol
LogP5.19
Rot. Bonds3

About 4-[2-chloro-2-(4,5-dibromothiophen-2-yl)ethyl]pyridine

4-[2-chloro-2-(4,5-dibromothiophen-2-yl)ethyl]pyridine (PubChem CID 80538308) has the molecular formula C11H8Br2ClNS and a molecular weight of 381.52 g/mol. Its IUPAC name is 4-[2-chloro-2-(4,5-dibromothiophen-2-yl)ethyl]pyridine.

Molecular Properties

Compound Name4-[2-chloro-2-(4,5-dibromothiophen-2-yl)ethyl]pyridine
PubChem CID80538308
Molecular FormulaC11H8Br2ClNS
Molecular Weight381.52 g/mol
Exact Mass378.84
IUPAC Name4-[2-chloro-2-(4,5-dibromothiophen-2-yl)ethyl]pyridine
SMILESClC(Cc1ccncc1)c1cc(Br)c(Br)s1
InChIInChI=1S/C11H8Br2ClNS/c12-8-6-10(16-11(8)13)9(14)5-7-1-3-15-4-2-7/h1-4,6,9H,5H2
InChIKeyFGKPRIHQZJVXBI-UHFFFAOYSA-N
XLogP5.19
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.52
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

4-[2-bromo-2-(4,5-dibromothiophen-2-yl)ethyl]pyridine
CID 80538074
4-[2-chloro-2-(4,5-dimethylthiophen-2-yl)ethyl]pyridine
CID 66461194
4-[2-(3-bromothiophen-2-yl)-2-chloroethyl]pyridine
CID 66460593
2-bromo-3-chloro-5-[1-chloro-2-(4-chlorophenyl)ethyl]thiophene
CID 80533733
2-[2-chloro-2-(4,5-dibromothiophen-2-yl)ethyl]quinoline
CID 80538265
2-bromo-3-chloro-5-[1-chloro-2-(3,4-dichlorophenyl)ethyl]thiophene
CID 80533591
2,3-dibromo-5-[1-chloro-2-(2,3-difluorophenyl)ethyl]thiophene
CID 80534257
2-bromo-5-[1-chloro-2-[4-(trifluoromethyl)phenyl]ethyl]-3-methylthiophene
CID 79996948
2,3-dibromo-5-[1-bromo-2-(4-bromophenyl)ethyl]thiophene
CID 80534268
4-[2-(3-bromo-5-chlorophenyl)-2-chloroethyl]pyridine
CID 107958110
2-(4-bromophenyl)-1-(4,5-dibromothiophen-2-yl)ethanamine
CID 80532924
3-bromo-5-[2-(3-bromophenyl)-1-chloroethyl]-2-chlorothiophene
CID 102836380

Frequently Asked Questions

What is the IUPAC name of 4-[2-chloro-2-(4,5-dibromothiophen-2-yl)ethyl]pyridine?
The IUPAC name of 4-[2-chloro-2-(4,5-dibromothiophen-2-yl)ethyl]pyridine (CID 80538308) is 4-[2-chloro-2-(4,5-dibromothiophen-2-yl)ethyl]pyridine.
What is the SMILES notation for 4-[2-chloro-2-(4,5-dibromothiophen-2-yl)ethyl]pyridine?
The canonical SMILES for 4-[2-chloro-2-(4,5-dibromothiophen-2-yl)ethyl]pyridine is ClC(Cc1ccncc1)c1cc(Br)c(Br)s1.
What is the InChIKey of 4-[2-chloro-2-(4,5-dibromothiophen-2-yl)ethyl]pyridine?
The InChIKey is FGKPRIHQZJVXBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Br2ClNS/c12-8-6-10(16-11(8)13)9(14)5-7-1-3-15-4-2-7/h1-4,6,9H,5H2.
What are the key properties of 4-[2-chloro-2-(4,5-dibromothiophen-2-yl)ethyl]pyridine?
4-[2-chloro-2-(4,5-dibromothiophen-2-yl)ethyl]pyridine has a molecular weight of 381.52 g/mol, XLogP of 5.19, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-chloro-2-(4,5-dibromothiophen-2-yl)ethyl]pyridine is sourced from PubChem (CID 80538308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).