2-cyclopentyl-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid

C13H14N2O2 — CID 84693470

IUPAC2-cyclopentyl-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid
SMILESO=C(O)c1c(C2CCCC2)[nH]c2ncccc12
InChIInChI=1S/C13H14N2O2/c16-13(17)10-9-6-3-7-14-12(9)15-11(10)8-4-1-2-5-8/h3,6-8H,1-2,4-5H2,(H,14,15)(H,16,17)
InChIKeyZCVFOWKQKDWFQB-UHFFFAOYSA-N
MW230.27 g/mol
LogP2.92
Rot. Bonds2

About 2-cyclopentyl-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid

2-cyclopentyl-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid (PubChem CID 84693470) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is 2-cyclopentyl-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-cyclopentyl-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid
PubChem CID84693470
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Name2-cyclopentyl-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid
SMILESO=C(O)c1c(C2CCCC2)[nH]c2ncccc12
InChIInChI=1S/C13H14N2O2/c16-13(17)10-9-6-3-7-14-12(9)15-11(10)8-4-1-2-5-8/h3,6-8H,1-2,4-5H2,(H,14,15)(H,16,17)
InChIKeyZCVFOWKQKDWFQB-UHFFFAOYSA-N
XLogP2.92
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid?
The IUPAC name of 2-cyclopentyl-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid (CID 84693470) is 2-cyclopentyl-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-cyclopentyl-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid?
The canonical SMILES for 2-cyclopentyl-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid is O=C(O)c1c(C2CCCC2)[nH]c2ncccc12.
What is the InChIKey of 2-cyclopentyl-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid?
The InChIKey is ZCVFOWKQKDWFQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c16-13(17)10-9-6-3-7-14-12(9)15-11(10)8-4-1-2-5-8/h3,6-8H,1-2,4-5H2,(H,14,15)(H,16,17).
What are the key properties of 2-cyclopentyl-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid?
2-cyclopentyl-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid has a molecular weight of 230.27 g/mol, XLogP of 2.92, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid is sourced from PubChem (CID 84693470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).