5-chloro-3-ethyl-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid

C10H9ClN2O2 — CID 177188064

IUPAC5-chloro-3-ethyl-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid
SMILESCCc1c(C(=O)O)[nH]c2ncc(Cl)cc12
InChIInChI=1S/C10H9ClN2O2/c1-2-6-7-3-5(11)4-12-9(7)13-8(6)10(14)15/h3-4H,2H2,1H3,(H,12,13)(H,14,15)
InChIKeyHZEYYXUJQNOTTH-UHFFFAOYSA-N
MW224.65 g/mol
LogP2.48
Rot. Bonds2

About 5-chloro-3-ethyl-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid

5-chloro-3-ethyl-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid (PubChem CID 177188064) has the molecular formula C10H9ClN2O2 and a molecular weight of 224.65 g/mol. Its IUPAC name is 5-chloro-3-ethyl-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-chloro-3-ethyl-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid
PubChem CID177188064
Molecular FormulaC10H9ClN2O2
Molecular Weight224.65 g/mol
Exact Mass224.04
IUPAC Name5-chloro-3-ethyl-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid
SMILESCCc1c(C(=O)O)[nH]c2ncc(Cl)cc12
InChIInChI=1S/C10H9ClN2O2/c1-2-6-7-3-5(11)4-12-9(7)13-8(6)10(14)15/h3-4H,2H2,1H3,(H,12,13)(H,14,15)
InChIKeyHZEYYXUJQNOTTH-UHFFFAOYSA-N
XLogP2.48
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.65
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-ethyl-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid?
The IUPAC name of 5-chloro-3-ethyl-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid (CID 177188064) is 5-chloro-3-ethyl-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-chloro-3-ethyl-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid?
The canonical SMILES for 5-chloro-3-ethyl-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid is CCc1c(C(=O)O)[nH]c2ncc(Cl)cc12.
What is the InChIKey of 5-chloro-3-ethyl-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid?
The InChIKey is HZEYYXUJQNOTTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2O2/c1-2-6-7-3-5(11)4-12-9(7)13-8(6)10(14)15/h3-4H,2H2,1H3,(H,12,13)(H,14,15).
What are the key properties of 5-chloro-3-ethyl-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid?
5-chloro-3-ethyl-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid has a molecular weight of 224.65 g/mol, XLogP of 2.48, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-ethyl-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid is sourced from PubChem (CID 177188064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).