3-(5-cyanothiophen-2-yl)thieno[2,3-b]pyridine-2-carboxylic acid

C13H6N2O2S2 — CID 139653312

IUPAC3-(5-cyanothiophen-2-yl)thieno[2,3-b]pyridine-2-carboxylic acid
SMILESN#Cc1ccc(-c2c(C(=O)O)sc3ncccc23)s1
InChIInChI=1S/C13H6N2O2S2/c14-6-7-3-4-9(18-7)10-8-2-1-5-15-12(8)19-11(10)13(16)17/h1-5H,(H,16,17)
InChIKeyWOZZDPJFPJWIRW-UHFFFAOYSA-N
MW286.34 g/mol
LogP3.59
Rot. Bonds2

About 3-(5-cyanothiophen-2-yl)thieno[2,3-b]pyridine-2-carboxylic acid

3-(5-cyanothiophen-2-yl)thieno[2,3-b]pyridine-2-carboxylic acid (PubChem CID 139653312) has the molecular formula C13H6N2O2S2 and a molecular weight of 286.34 g/mol. Its IUPAC name is 3-(5-cyanothiophen-2-yl)thieno[2,3-b]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-(5-cyanothiophen-2-yl)thieno[2,3-b]pyridine-2-carboxylic acid
PubChem CID139653312
Molecular FormulaC13H6N2O2S2
Molecular Weight286.34 g/mol
Exact Mass285.99
IUPAC Name3-(5-cyanothiophen-2-yl)thieno[2,3-b]pyridine-2-carboxylic acid
SMILESN#Cc1ccc(-c2c(C(=O)O)sc3ncccc23)s1
InChIInChI=1S/C13H6N2O2S2/c14-6-7-3-4-9(18-7)10-8-2-1-5-15-12(8)19-11(10)13(16)17/h1-5H,(H,16,17)
InChIKeyWOZZDPJFPJWIRW-UHFFFAOYSA-N
XLogP3.59
TPSA73.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[4-(aminomethyl)phenyl]thieno[2,3-b]pyridine-2-carboxylic acid
CID 139651753
3-methoxythieno[2,3-b]pyridine-2-carboxylic acid
CID 11344821
3-(1H-indol-2-yl)thieno[2,3-b]pyridine-2-carboxylic acid
CID 139653334
(E)-3-phenyl-1-(3-phenylthieno[2,3-b]pyridin-2-yl)prop-2-en-1-one
CID 58026323
3-butylsulfanylthieno[2,3-b]pyridine-2-carboxylic acid
CID 67872843
(4-methylpiperazin-1-yl)-(3-thiophen-2-ylthieno[2,3-b]pyridin-2-yl)methanone
CID 139653297
3-[4-(2-piperidin-1-ylethoxy)phenyl]thieno[2,3-b]pyridine-2-carboxylic acid
CID 139651716
methyl 3-aminothieno[2,3-b]pyridine-2-carboxylate;pyridine
CID 160853346
potassium;hydride;3-hydroxythieno[2,3-b]pyridine-2-carbonitrile
CID 173437283
ethyl 3-oxo-3-(3-phenylthieno[2,3-b]pyridin-2-yl)propanoate
CID 23585316
(E)-3-(4-methylphenyl)-1-(3-phenylthieno[2,3-b]pyridin-2-yl)prop-2-en-1-one
CID 58026327
3-[4-[3-(dimethylamino)propoxy]-3-(trifluoromethyl)phenyl]thieno[2,3-b]pyridine-2-carboxylic acid
CID 139651760

Frequently Asked Questions

What is the IUPAC name of 3-(5-cyanothiophen-2-yl)thieno[2,3-b]pyridine-2-carboxylic acid?
The IUPAC name of 3-(5-cyanothiophen-2-yl)thieno[2,3-b]pyridine-2-carboxylic acid (CID 139653312) is 3-(5-cyanothiophen-2-yl)thieno[2,3-b]pyridine-2-carboxylic acid.
What is the SMILES notation for 3-(5-cyanothiophen-2-yl)thieno[2,3-b]pyridine-2-carboxylic acid?
The canonical SMILES for 3-(5-cyanothiophen-2-yl)thieno[2,3-b]pyridine-2-carboxylic acid is N#Cc1ccc(-c2c(C(=O)O)sc3ncccc23)s1.
What is the InChIKey of 3-(5-cyanothiophen-2-yl)thieno[2,3-b]pyridine-2-carboxylic acid?
The InChIKey is WOZZDPJFPJWIRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6N2O2S2/c14-6-7-3-4-9(18-7)10-8-2-1-5-15-12(8)19-11(10)13(16)17/h1-5H,(H,16,17).
What are the key properties of 3-(5-cyanothiophen-2-yl)thieno[2,3-b]pyridine-2-carboxylic acid?
3-(5-cyanothiophen-2-yl)thieno[2,3-b]pyridine-2-carboxylic acid has a molecular weight of 286.34 g/mol, XLogP of 3.59, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-cyanothiophen-2-yl)thieno[2,3-b]pyridine-2-carboxylic acid is sourced from PubChem (CID 139653312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).