4-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyridine-2-carboxylic acid

C13H9N3O2 — CID 82388447

IUPAC4-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyridine-2-carboxylic acid
SMILESO=C(O)c1cc(-c2cnc3[nH]ccc3c2)ccn1
InChIInChI=1S/C13H9N3O2/c17-13(18)11-6-8(1-3-14-11)10-5-9-2-4-15-12(9)16-7-10/h1-7H,(H,15,16)(H,17,18)
InChIKeyXJOIZBSJIYWZRD-UHFFFAOYSA-N
MW239.23 g/mol
LogP2.32
Rot. Bonds2

About 4-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyridine-2-carboxylic acid

4-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyridine-2-carboxylic acid (PubChem CID 82388447) has the molecular formula C13H9N3O2 and a molecular weight of 239.23 g/mol. Its IUPAC name is 4-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyridine-2-carboxylic acid
PubChem CID82388447
Molecular FormulaC13H9N3O2
Molecular Weight239.23 g/mol
Exact Mass239.07
IUPAC Name4-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyridine-2-carboxylic acid
SMILESO=C(O)c1cc(-c2cnc3[nH]ccc3c2)ccn1
InChIInChI=1S/C13H9N3O2/c17-13(18)11-6-8(1-3-14-11)10-5-9-2-4-15-12(9)16-7-10/h1-7H,(H,15,16)(H,17,18)
InChIKeyXJOIZBSJIYWZRD-UHFFFAOYSA-N
XLogP2.32
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyridine-2-carboxylic acid?
The IUPAC name of 4-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyridine-2-carboxylic acid (CID 82388447) is 4-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyridine-2-carboxylic acid.
What is the SMILES notation for 4-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyridine-2-carboxylic acid?
The canonical SMILES for 4-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyridine-2-carboxylic acid is O=C(O)c1cc(-c2cnc3[nH]ccc3c2)ccn1.
What is the InChIKey of 4-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyridine-2-carboxylic acid?
The InChIKey is XJOIZBSJIYWZRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N3O2/c17-13(18)11-6-8(1-3-14-11)10-5-9-2-4-15-12(9)16-7-10/h1-7H,(H,15,16)(H,17,18).
What are the key properties of 4-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyridine-2-carboxylic acid?
4-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyridine-2-carboxylic acid has a molecular weight of 239.23 g/mol, XLogP of 2.32, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyridine-2-carboxylic acid is sourced from PubChem (CID 82388447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).