5-(2,3,3-trimethylpyrrolo[2,3-b]pyridin-5-yl)thiophene-2-carboxylic acid

C15H14N2O2S — CID 171608374

IUPAC5-(2,3,3-trimethylpyrrolo[2,3-b]pyridin-5-yl)thiophene-2-carboxylic acid
SMILESCC1=Nc2ncc(-c3ccc(C(=O)O)s3)cc2C1(C)C
InChIInChI=1S/C15H14N2O2S/c1-8-15(2,3)10-6-9(7-16-13(10)17-8)11-4-5-12(20-11)14(18)19/h4-7H,1-3H3,(H,18,19)
InChIKeyTYAWQOJKUGBWPQ-UHFFFAOYSA-N
MW286.36 g/mol
LogP3.89
Rot. Bonds2

About 5-(2,3,3-trimethylpyrrolo[2,3-b]pyridin-5-yl)thiophene-2-carboxylic acid

5-(2,3,3-trimethylpyrrolo[2,3-b]pyridin-5-yl)thiophene-2-carboxylic acid (PubChem CID 171608374) has the molecular formula C15H14N2O2S and a molecular weight of 286.36 g/mol. Its IUPAC name is 5-(2,3,3-trimethylpyrrolo[2,3-b]pyridin-5-yl)thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-(2,3,3-trimethylpyrrolo[2,3-b]pyridin-5-yl)thiophene-2-carboxylic acid
PubChem CID171608374
Molecular FormulaC15H14N2O2S
Molecular Weight286.36 g/mol
Exact Mass286.08
IUPAC Name5-(2,3,3-trimethylpyrrolo[2,3-b]pyridin-5-yl)thiophene-2-carboxylic acid
SMILESCC1=Nc2ncc(-c3ccc(C(=O)O)s3)cc2C1(C)C
InChIInChI=1S/C15H14N2O2S/c1-8-15(2,3)10-6-9(7-16-13(10)17-8)11-4-5-12(20-11)14(18)19/h4-7H,1-3H3,(H,18,19)
InChIKeyTYAWQOJKUGBWPQ-UHFFFAOYSA-N
XLogP3.89
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[5-(5-methylthiophen-2-yl)thiophen-2-yl]thiophene-2-carboxylic acid
CID 135215247
5-(6-ethylpyridazin-4-yl)thiophene-2-carboxylic acid
CID 118468569
5-(5-hydroxy-3-pyridinyl)thiophene-2-carboxylic acid
CID 18801324
5-(2-methylquinolin-6-yl)thiophene-2-carboxylic acid
CID 81224038
2-methoxy-4-(2,3,3-trimethylpyrrolo[2,3-b]pyridin-5-yl)benzenesulfonic acid
CID 142052240
5-pyrazin-2-ylthiophene-2-carboxylic acid
CID 63968370
5-(3-methyl-1,2-thiazol-5-yl)thiophene-2-carboxylic acid
CID 131191331
5-(5-amino-2-pyridinyl)thiophene-2-carboxylic acid
CID 58657308
5-(4-phenylphenyl)thiophene-2-carboxylic acid
CID 7130760
ethane;5-(5-methyl-1,3,4-oxadiazol-2-yl)thiophene-2-carboxylic acid
CID 142287345
5-(4,4-dimethyl-5H-1,3-oxazol-2-yl)thiophene-2-carboxylic acid
CID 13413513
5-[7-(5-carboxythiophen-2-yl)-9,9-dioctylfluoren-2-yl]thiophene-2-carboxylic acid
CID 101211871

Frequently Asked Questions

What is the IUPAC name of 5-(2,3,3-trimethylpyrrolo[2,3-b]pyridin-5-yl)thiophene-2-carboxylic acid?
The IUPAC name of 5-(2,3,3-trimethylpyrrolo[2,3-b]pyridin-5-yl)thiophene-2-carboxylic acid (CID 171608374) is 5-(2,3,3-trimethylpyrrolo[2,3-b]pyridin-5-yl)thiophene-2-carboxylic acid.
What is the SMILES notation for 5-(2,3,3-trimethylpyrrolo[2,3-b]pyridin-5-yl)thiophene-2-carboxylic acid?
The canonical SMILES for 5-(2,3,3-trimethylpyrrolo[2,3-b]pyridin-5-yl)thiophene-2-carboxylic acid is CC1=Nc2ncc(-c3ccc(C(=O)O)s3)cc2C1(C)C.
What is the InChIKey of 5-(2,3,3-trimethylpyrrolo[2,3-b]pyridin-5-yl)thiophene-2-carboxylic acid?
The InChIKey is TYAWQOJKUGBWPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2S/c1-8-15(2,3)10-6-9(7-16-13(10)17-8)11-4-5-12(20-11)14(18)19/h4-7H,1-3H3,(H,18,19).
What are the key properties of 5-(2,3,3-trimethylpyrrolo[2,3-b]pyridin-5-yl)thiophene-2-carboxylic acid?
5-(2,3,3-trimethylpyrrolo[2,3-b]pyridin-5-yl)thiophene-2-carboxylic acid has a molecular weight of 286.36 g/mol, XLogP of 3.89, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3,3-trimethylpyrrolo[2,3-b]pyridin-5-yl)thiophene-2-carboxylic acid is sourced from PubChem (CID 171608374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).