3-(1H-indol-2-yl)thieno[2,3-b]pyridine-2-carboxylic acid

C16H10N2O2S — CID 139653334

IUPAC3-(1H-indol-2-yl)thieno[2,3-b]pyridine-2-carboxylic acid
SMILESO=C(O)c1sc2ncccc2c1-c1cc2ccccc2[nH]1
InChIInChI=1S/C16H10N2O2S/c19-16(20)14-13(10-5-3-7-17-15(10)21-14)12-8-9-4-1-2-6-11(9)18-12/h1-8,18H,(H,19,20)
InChIKeyNDNRJVSUTJPLMO-UHFFFAOYSA-N
MW294.34 g/mol
LogP4.14
Rot. Bonds2

About 3-(1H-indol-2-yl)thieno[2,3-b]pyridine-2-carboxylic acid

3-(1H-indol-2-yl)thieno[2,3-b]pyridine-2-carboxylic acid (PubChem CID 139653334) has the molecular formula C16H10N2O2S and a molecular weight of 294.34 g/mol. Its IUPAC name is 3-(1H-indol-2-yl)thieno[2,3-b]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-(1H-indol-2-yl)thieno[2,3-b]pyridine-2-carboxylic acid
PubChem CID139653334
Molecular FormulaC16H10N2O2S
Molecular Weight294.34 g/mol
Exact Mass294.05
IUPAC Name3-(1H-indol-2-yl)thieno[2,3-b]pyridine-2-carboxylic acid
SMILESO=C(O)c1sc2ncccc2c1-c1cc2ccccc2[nH]1
InChIInChI=1S/C16H10N2O2S/c19-16(20)14-13(10-5-3-7-17-15(10)21-14)12-8-9-4-1-2-6-11(9)18-12/h1-8,18H,(H,19,20)
InChIKeyNDNRJVSUTJPLMO-UHFFFAOYSA-N
XLogP4.14
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.34
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-(aminomethyl)phenyl]thieno[2,3-b]pyridine-2-carboxylic acid
CID 139651753
3-(5-cyanothiophen-2-yl)thieno[2,3-b]pyridine-2-carboxylic acid
CID 139653312
(E)-3-phenyl-1-(3-phenylthieno[2,3-b]pyridin-2-yl)prop-2-en-1-one
CID 58026323
3-methoxythieno[2,3-b]pyridine-2-carboxylic acid
CID 11344821
2-(1H-indol-2-yl)-1H-pyrrolo[2,3-b]pyridine
CID 69186852
2-(1H-indol-2-yl)-1H-pyrrolo[3,2-b]pyridine
CID 156702024
5-(1H-indol-2-yl)pyridazine-4-carboxylic acid
CID 82388435
(E)-3-(4-methylphenyl)-1-(3-phenylthieno[2,3-b]pyridin-2-yl)prop-2-en-1-one
CID 58026327
3-[4-(2-piperidin-1-ylethoxy)phenyl]thieno[2,3-b]pyridine-2-carboxylic acid
CID 139651716
(3-aminothieno[2,3-b]pyridin-2-yl)-(2-methyl-1H-indol-3-yl)methanone
CID 16764531
3-[4-[3-(dimethylamino)propoxy]-3-(trifluoromethyl)phenyl]thieno[2,3-b]pyridine-2-carboxylic acid
CID 139651760
2-oxo-1H-quinoline-3-carboxylic acid;quinoline
CID 70597334

Frequently Asked Questions

What is the IUPAC name of 3-(1H-indol-2-yl)thieno[2,3-b]pyridine-2-carboxylic acid?
The IUPAC name of 3-(1H-indol-2-yl)thieno[2,3-b]pyridine-2-carboxylic acid (CID 139653334) is 3-(1H-indol-2-yl)thieno[2,3-b]pyridine-2-carboxylic acid.
What is the SMILES notation for 3-(1H-indol-2-yl)thieno[2,3-b]pyridine-2-carboxylic acid?
The canonical SMILES for 3-(1H-indol-2-yl)thieno[2,3-b]pyridine-2-carboxylic acid is O=C(O)c1sc2ncccc2c1-c1cc2ccccc2[nH]1.
What is the InChIKey of 3-(1H-indol-2-yl)thieno[2,3-b]pyridine-2-carboxylic acid?
The InChIKey is NDNRJVSUTJPLMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10N2O2S/c19-16(20)14-13(10-5-3-7-17-15(10)21-14)12-8-9-4-1-2-6-11(9)18-12/h1-8,18H,(H,19,20).
What are the key properties of 3-(1H-indol-2-yl)thieno[2,3-b]pyridine-2-carboxylic acid?
3-(1H-indol-2-yl)thieno[2,3-b]pyridine-2-carboxylic acid has a molecular weight of 294.34 g/mol, XLogP of 4.14, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-indol-2-yl)thieno[2,3-b]pyridine-2-carboxylic acid is sourced from PubChem (CID 139653334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).