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

C13H9N3O2 — CID 82376068

IUPAC4-pyridin-2-yl-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid
SMILESO=C(O)c1cc2c(-c3ccccn3)ccnc2[nH]1
InChIInChI=1S/C13H9N3O2/c17-13(18)11-7-9-8(4-6-15-12(9)16-11)10-3-1-2-5-14-10/h1-7H,(H,15,16)(H,17,18)
InChIKeyFRULHXIZJMIAOR-UHFFFAOYSA-N
MW239.23 g/mol
LogP2.32
Rot. Bonds2

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

4-pyridin-2-yl-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid (PubChem CID 82376068) has the molecular formula C13H9N3O2 and a molecular weight of 239.23 g/mol. Its IUPAC name is 4-pyridin-2-yl-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-pyridin-2-yl-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid
PubChem CID82376068
Molecular FormulaC13H9N3O2
Molecular Weight239.23 g/mol
Exact Mass239.07
IUPAC Name4-pyridin-2-yl-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid
SMILESO=C(O)c1cc2c(-c3ccccn3)ccnc2[nH]1
InChIInChI=1S/C13H9N3O2/c17-13(18)11-7-9-8(4-6-15-12(9)16-11)10-3-1-2-5-14-10/h1-7H,(H,15,16)(H,17,18)
InChIKeyFRULHXIZJMIAOR-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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Related Compounds

4-(chloromethyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid
CID 155227311
4-amino-5-pyridin-2-yl-1H-pyrrole-2-carboxylic acid
CID 91900724
molecular hydrogen;1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid
CID 156715490
2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;bis(2-pyridin-2-ylpyridine);ruthenium
CID 14951635
2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;osmium;bis(2-pyridin-2-ylpyridine)
CID 162025014
2-pyridin-2-ylpyridine-4-carboxylic acid;dihydrochloride
CID 91928344
2-bromo-4-phenyl-1H-pyrrolo[2,3-b]pyridine
CID 119012312
3-pyridin-2-yl-1H-pyrrole-2-carboxylic acid
CID 67047681
(4-pyridin-2-yl-3-pyridinyl)carbamic acid
CID 118063943
2-pyridin-2-ylpyrimidine-5-carboxylic acid
CID 24903633
5-pyridin-4-yl-3-(4-pyridin-2-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridine
CID 137116576
3-chloro-4-pyridin-2-ylbenzoic acid
CID 68948514

Frequently Asked Questions

What is the IUPAC name of 4-pyridin-2-yl-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid?
The IUPAC name of 4-pyridin-2-yl-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid (CID 82376068) is 4-pyridin-2-yl-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid.
What is the SMILES notation for 4-pyridin-2-yl-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid?
The canonical SMILES for 4-pyridin-2-yl-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid is O=C(O)c1cc2c(-c3ccccn3)ccnc2[nH]1.
What is the InChIKey of 4-pyridin-2-yl-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid?
The InChIKey is FRULHXIZJMIAOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N3O2/c17-13(18)11-7-9-8(4-6-15-12(9)16-11)10-3-1-2-5-14-10/h1-7H,(H,15,16)(H,17,18).
What are the key properties of 4-pyridin-2-yl-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid?
4-pyridin-2-yl-1H-pyrrolo[2,3-b]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-pyridin-2-yl-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid is sourced from PubChem (CID 82376068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).