5-bromo-3-methyl-2-[(E)-2-thiophen-2-ylethenyl]pyridine

C12H10BrNS — CID 102207232

IUPAC5-bromo-3-methyl-2-[(E)-2-thiophen-2-ylethenyl]pyridine
SMILESCc1cc(Br)cnc1/C=C/c1cccs1
InChIInChI=1S/C12H10BrNS/c1-9-7-10(13)8-14-12(9)5-4-11-3-2-6-15-11/h2-8H,1H3/b5-4+
InChIKeyJRLFCWLUGNEBIB-SNAWJCMRSA-N
MW280.19 g/mol
LogP4.38
Rot. Bonds2

About 5-bromo-3-methyl-2-[(E)-2-thiophen-2-ylethenyl]pyridine

5-bromo-3-methyl-2-[(E)-2-thiophen-2-ylethenyl]pyridine (PubChem CID 102207232) has the molecular formula C12H10BrNS and a molecular weight of 280.19 g/mol. Its IUPAC name is 5-bromo-3-methyl-2-[(E)-2-thiophen-2-ylethenyl]pyridine.

Molecular Properties

Compound Name5-bromo-3-methyl-2-[(E)-2-thiophen-2-ylethenyl]pyridine
PubChem CID102207232
Molecular FormulaC12H10BrNS
Molecular Weight280.19 g/mol
Exact Mass278.97
IUPAC Name5-bromo-3-methyl-2-[(E)-2-thiophen-2-ylethenyl]pyridine
SMILESCc1cc(Br)cnc1/C=C/c1cccs1
InChIInChI=1S/C12H10BrNS/c1-9-7-10(13)8-14-12(9)5-4-11-3-2-6-15-11/h2-8H,1H3/b5-4+
InChIKeyJRLFCWLUGNEBIB-SNAWJCMRSA-N
XLogP4.38
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.19
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,3,5,6-tetrakis[(E)-2-thiophen-2-ylethenyl]pyrazine
CID 19937826
5-methyl-3-[(E)-2-thiophen-2-ylethenyl]-1,2-oxazol-4-amine
CID 16771109
2-methyl-5-[(E)-2-thiophen-2-ylethenyl]thiophene
CID 23543403
4-[(E)-2-thiophen-2-ylethenyl]pyridine
CID 10932177
5-bromo-2-iodo-3-methylpyridine;5-bromo-3-methylpyridine-2-carbaldehyde;methane
CID 157258711
(E)-2-thiophen-2-ylethenol
CID 89297537
N,N-bis(4-bromophenyl)-4-[(E)-2-thiophen-2-ylethenyl]aniline
CID 67494789
CID 11426392
CID 11426392
dichloro-methyl-(2-thiophen-2-ylethenyl)silane
CID 131873611
2-methoxy-6-methyl-4-(2-thiophen-2-ylethenyl)phenol
CID 54060041
5-bromo-3-methyl-N-(3-methylthiophen-2-yl)pyridin-2-amine
CID 115148473
3-[(E)-2-thiophen-2-ylethenyl]-1H-indazole
CID 67415906

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-methyl-2-[(E)-2-thiophen-2-ylethenyl]pyridine?
The IUPAC name of 5-bromo-3-methyl-2-[(E)-2-thiophen-2-ylethenyl]pyridine (CID 102207232) is 5-bromo-3-methyl-2-[(E)-2-thiophen-2-ylethenyl]pyridine.
What is the SMILES notation for 5-bromo-3-methyl-2-[(E)-2-thiophen-2-ylethenyl]pyridine?
The canonical SMILES for 5-bromo-3-methyl-2-[(E)-2-thiophen-2-ylethenyl]pyridine is Cc1cc(Br)cnc1/C=C/c1cccs1.
What is the InChIKey of 5-bromo-3-methyl-2-[(E)-2-thiophen-2-ylethenyl]pyridine?
The InChIKey is JRLFCWLUGNEBIB-SNAWJCMRSA-N. The full InChI is InChI=1S/C12H10BrNS/c1-9-7-10(13)8-14-12(9)5-4-11-3-2-6-15-11/h2-8H,1H3/b5-4+.
What are the key properties of 5-bromo-3-methyl-2-[(E)-2-thiophen-2-ylethenyl]pyridine?
5-bromo-3-methyl-2-[(E)-2-thiophen-2-ylethenyl]pyridine has a molecular weight of 280.19 g/mol, XLogP of 4.38, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-methyl-2-[(E)-2-thiophen-2-ylethenyl]pyridine is sourced from PubChem (CID 102207232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).