4-bromothieno[2,3-c]pyridine-2-carboxylic acid;ethane

C10H10BrNO2S — CID 167523093

IUPAC4-bromothieno[2,3-c]pyridine-2-carboxylic acid;ethane
SMILESCC.O=C(O)c1cc2c(Br)cncc2s1
InChIInChI=1S/C8H4BrNO2S.C2H6/c9-5-2-10-3-7-4(5)1-6(13-7)8(11)12;1-2/h1-3H,(H,11,12);1-2H3
InChIKeyVJANQYXXAYYVPY-UHFFFAOYSA-N
MW288.17 g/mol
LogP3.78
Rot. Bonds1

About 4-bromothieno[2,3-c]pyridine-2-carboxylic acid;ethane

4-bromothieno[2,3-c]pyridine-2-carboxylic acid;ethane (PubChem CID 167523093) has the molecular formula C10H10BrNO2S and a molecular weight of 288.17 g/mol. Its IUPAC name is 4-bromothieno[2,3-c]pyridine-2-carboxylic acid;ethane.

Molecular Properties

Compound Name4-bromothieno[2,3-c]pyridine-2-carboxylic acid;ethane
PubChem CID167523093
Molecular FormulaC10H10BrNO2S
Molecular Weight288.17 g/mol
Exact Mass286.96
IUPAC Name4-bromothieno[2,3-c]pyridine-2-carboxylic acid;ethane
SMILESCC.O=C(O)c1cc2c(Br)cncc2s1
InChIInChI=1S/C8H4BrNO2S.C2H6/c9-5-2-10-3-7-4(5)1-6(13-7)8(11)12;1-2/h1-3H,(H,11,12);1-2H3
InChIKeyVJANQYXXAYYVPY-UHFFFAOYSA-N
XLogP3.78
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.17
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromothieno[2,3-c]pyridin-2-yl)ethanone
CID 58622541
tert-butyl 4-bromothieno[2,3-c]pyridine-2-carboxylate
CID 166604363
methanol;4-methylthieno[2,3-c]pyridine-2-carboxylic acid
CID 90848092
(4-bromothieno[2,3-c]pyridin-2-yl)-[3-(hydroxymethyl)azetidin-1-yl]methanone
CID 154741516
4-(4-chlorophenyl)thieno[2,3-c]pyridine-2-carboxylic acid
CID 70192137
methyl 3-[[(4-bromothieno[2,3-c]pyridine-2-carbonyl)amino]methyl]benzoate
CID 162639500
methyl 4-ethenylthieno[2,3-c]pyridine-2-carboxylate
CID 58622580
1-(4-aminothieno[2,3-c]pyridin-2-yl)ethanone
CID 82402692
4-[4-(methoxymethyl)phenoxy]thieno[2,3-c]pyridine-2-carboxylic acid
CID 11109843
methyl 3-(4-bromothieno[2,3-c]pyridin-2-yl)-3-hydroxy-2,2-dimethylpropanoate
CID 122582263
4-bromothieno[2,3-c]pyridine-2-carbonitrile
CID 53440033
6-bromo-4-fluoro-1-benzothiophene-2-carboxylic acid
CID 70982820

Frequently Asked Questions

What is the IUPAC name of 4-bromothieno[2,3-c]pyridine-2-carboxylic acid;ethane?
The IUPAC name of 4-bromothieno[2,3-c]pyridine-2-carboxylic acid;ethane (CID 167523093) is 4-bromothieno[2,3-c]pyridine-2-carboxylic acid;ethane.
What is the SMILES notation for 4-bromothieno[2,3-c]pyridine-2-carboxylic acid;ethane?
The canonical SMILES for 4-bromothieno[2,3-c]pyridine-2-carboxylic acid;ethane is CC.O=C(O)c1cc2c(Br)cncc2s1.
What is the InChIKey of 4-bromothieno[2,3-c]pyridine-2-carboxylic acid;ethane?
The InChIKey is VJANQYXXAYYVPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4BrNO2S.C2H6/c9-5-2-10-3-7-4(5)1-6(13-7)8(11)12;1-2/h1-3H,(H,11,12);1-2H3.
What are the key properties of 4-bromothieno[2,3-c]pyridine-2-carboxylic acid;ethane?
4-bromothieno[2,3-c]pyridine-2-carboxylic acid;ethane has a molecular weight of 288.17 g/mol, XLogP of 3.78, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromothieno[2,3-c]pyridine-2-carboxylic acid;ethane is sourced from PubChem (CID 167523093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).