3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;thiophene-2-carboxylic acid

C19H16N2O3S — CID 145491969

IUPAC3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;thiophene-2-carboxylic acid
SMILESCOc1ccccc1-c1c[nH]c2ncccc12.O=C(O)c1cccs1
InChIInChI=1S/C14H12N2O.C5H4O2S/c1-17-13-7-3-2-5-10(13)12-9-16-14-11(12)6-4-8-15-14;6-5(7)4-2-1-3-8-4/h2-9H,1H3,(H,15,16);1-3H,(H,6,7)
InChIKeyBZOQKJMHFMMLKT-UHFFFAOYSA-N
MW352.42 g/mol
LogP4.68
Rot. Bonds3

About 3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;thiophene-2-carboxylic acid

3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;thiophene-2-carboxylic acid (PubChem CID 145491969) has the molecular formula C19H16N2O3S and a molecular weight of 352.42 g/mol. Its IUPAC name is 3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;thiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;thiophene-2-carboxylic acid
PubChem CID145491969
Molecular FormulaC19H16N2O3S
Molecular Weight352.42 g/mol
Exact Mass352.09
IUPAC Name3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;thiophene-2-carboxylic acid
SMILESCOc1ccccc1-c1c[nH]c2ncccc12.O=C(O)c1cccs1
InChIInChI=1S/C14H12N2O.C5H4O2S/c1-17-13-7-3-2-5-10(13)12-9-16-14-11(12)6-4-8-15-14;6-5(7)4-2-1-3-8-4/h2-9H,1H3,(H,15,16);1-3H,(H,6,7)
InChIKeyBZOQKJMHFMMLKT-UHFFFAOYSA-N
XLogP4.68
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.42
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;thiophene-2-carboxylic acid?
The IUPAC name of 3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;thiophene-2-carboxylic acid (CID 145491969) is 3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;thiophene-2-carboxylic acid.
What is the SMILES notation for 3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;thiophene-2-carboxylic acid?
The canonical SMILES for 3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;thiophene-2-carboxylic acid is COc1ccccc1-c1c[nH]c2ncccc12.O=C(O)c1cccs1.
What is the InChIKey of 3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;thiophene-2-carboxylic acid?
The InChIKey is BZOQKJMHFMMLKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O.C5H4O2S/c1-17-13-7-3-2-5-10(13)12-9-16-14-11(12)6-4-8-15-14;6-5(7)4-2-1-3-8-4/h2-9H,1H3,(H,15,16);1-3H,(H,6,7).
What are the key properties of 3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;thiophene-2-carboxylic acid?
3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;thiophene-2-carboxylic acid has a molecular weight of 352.42 g/mol, XLogP of 4.68, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;thiophene-2-carboxylic acid is sourced from PubChem (CID 145491969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).