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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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).