methyl 5-bromo-4-pyridin-2-ylthiophene-2-carboxylate

C11H8BrNO2S — CID 169144350

IUPACmethyl 5-bromo-4-pyridin-2-ylthiophene-2-carboxylate
SMILESCOC(=O)c1cc(-c2ccccn2)c(Br)s1
InChIInChI=1S/C11H8BrNO2S/c1-15-11(14)9-6-7(10(12)16-9)8-4-2-3-5-13-8/h2-6H,1H3
InChIKeyWDVGNMGVJCTCAQ-UHFFFAOYSA-N
MW298.16 g/mol
LogP3.36
Rot. Bonds2

About methyl 5-bromo-4-pyridin-2-ylthiophene-2-carboxylate

methyl 5-bromo-4-pyridin-2-ylthiophene-2-carboxylate (PubChem CID 169144350) has the molecular formula C11H8BrNO2S and a molecular weight of 298.16 g/mol. Its IUPAC name is methyl 5-bromo-4-pyridin-2-ylthiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-bromo-4-pyridin-2-ylthiophene-2-carboxylate
PubChem CID169144350
Molecular FormulaC11H8BrNO2S
Molecular Weight298.16 g/mol
Exact Mass296.95
IUPAC Namemethyl 5-bromo-4-pyridin-2-ylthiophene-2-carboxylate
SMILESCOC(=O)c1cc(-c2ccccn2)c(Br)s1
InChIInChI=1S/C11H8BrNO2S/c1-15-11(14)9-6-7(10(12)16-9)8-4-2-3-5-13-8/h2-6H,1H3
InChIKeyWDVGNMGVJCTCAQ-UHFFFAOYSA-N
XLogP3.36
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.16
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-hydroxy-3,5-dipyridin-2-ylbenzoate
CID 135496844
methyl 3-methyl-4-pyridin-2-ylbenzoate
CID 24829012
methyl 4-methoxy-3-pyridin-2-ylbenzoate
CID 70840507
methyl 6-bromo-4-pyridin-2-ylquinoline-2-carboxylate
CID 141467629
ethane;methyl 5-pyridin-2-yl-1,2-oxazole-3-carboxylate
CID 178133998
methyl 2-chloro-5-methylsulfonyl-4-pyridin-2-ylbenzoate
CID 18919989
methyl 3-amino-5-methyl-4-pyridin-2-ylthiophene-2-carboxylate
CID 83971405
methyl 2-[2-(2-pyridin-2-yl-1,3-thiazol-5-yl)ethenyl]-1,3-thiazole-5-carboxylate
CID 71859102
methyl 6-methyl-4-pyridin-2-ylquinoline-2-carboxylate
CID 141467624
methyl 3,6-dipyridin-2-ylpyridazine-4-carboxylate
CID 6417972
methyl 3-pyridin-2-yl-1,2-oxazole-4-carboxylate
CID 767299
methyl 5-methylsulfanyl-4-(6-phenyl-2-pyridinyl)thiophene-2-carboxylate
CID 18536958

Frequently Asked Questions

What is the IUPAC name of methyl 5-bromo-4-pyridin-2-ylthiophene-2-carboxylate?
The IUPAC name of methyl 5-bromo-4-pyridin-2-ylthiophene-2-carboxylate (CID 169144350) is methyl 5-bromo-4-pyridin-2-ylthiophene-2-carboxylate.
What is the SMILES notation for methyl 5-bromo-4-pyridin-2-ylthiophene-2-carboxylate?
The canonical SMILES for methyl 5-bromo-4-pyridin-2-ylthiophene-2-carboxylate is COC(=O)c1cc(-c2ccccn2)c(Br)s1.
What is the InChIKey of methyl 5-bromo-4-pyridin-2-ylthiophene-2-carboxylate?
The InChIKey is WDVGNMGVJCTCAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrNO2S/c1-15-11(14)9-6-7(10(12)16-9)8-4-2-3-5-13-8/h2-6H,1H3.
What are the key properties of methyl 5-bromo-4-pyridin-2-ylthiophene-2-carboxylate?
methyl 5-bromo-4-pyridin-2-ylthiophene-2-carboxylate has a molecular weight of 298.16 g/mol, XLogP of 3.36, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-bromo-4-pyridin-2-ylthiophene-2-carboxylate is sourced from PubChem (CID 169144350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).