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

C10H10N2O2 — CID 84662505

IUPAC3-ethyl-1H-pyrrolo[3,2-b]pyridine-2-carboxylic acid
SMILESCCc1c(C(=O)O)[nH]c2cccnc12
InChIInChI=1S/C10H10N2O2/c1-2-6-8-7(4-3-5-11-8)12-9(6)10(13)14/h3-5,12H,2H2,1H3,(H,13,14)
InChIKeyQDHZJSKMTNWALJ-UHFFFAOYSA-N
MW190.20 g/mol
LogP1.82
Rot. Bonds2

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

3-ethyl-1H-pyrrolo[3,2-b]pyridine-2-carboxylic acid (PubChem CID 84662505) has the molecular formula C10H10N2O2 and a molecular weight of 190.20 g/mol. Its IUPAC name is 3-ethyl-1H-pyrrolo[3,2-b]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-ethyl-1H-pyrrolo[3,2-b]pyridine-2-carboxylic acid
PubChem CID84662505
Molecular FormulaC10H10N2O2
Molecular Weight190.20 g/mol
Exact Mass190.07
IUPAC Name3-ethyl-1H-pyrrolo[3,2-b]pyridine-2-carboxylic acid
SMILESCCc1c(C(=O)O)[nH]c2cccnc12
InChIInChI=1S/C10H10N2O2/c1-2-6-8-7(4-3-5-11-8)12-9(6)10(13)14/h3-5,12H,2H2,1H3,(H,13,14)
InChIKeyQDHZJSKMTNWALJ-UHFFFAOYSA-N
XLogP1.82
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1H-pyrrolo[3,2-b]pyridine-2-carboxylic acid?
The IUPAC name of 3-ethyl-1H-pyrrolo[3,2-b]pyridine-2-carboxylic acid (CID 84662505) is 3-ethyl-1H-pyrrolo[3,2-b]pyridine-2-carboxylic acid.
What is the SMILES notation for 3-ethyl-1H-pyrrolo[3,2-b]pyridine-2-carboxylic acid?
The canonical SMILES for 3-ethyl-1H-pyrrolo[3,2-b]pyridine-2-carboxylic acid is CCc1c(C(=O)O)[nH]c2cccnc12.
What is the InChIKey of 3-ethyl-1H-pyrrolo[3,2-b]pyridine-2-carboxylic acid?
The InChIKey is QDHZJSKMTNWALJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2/c1-2-6-8-7(4-3-5-11-8)12-9(6)10(13)14/h3-5,12H,2H2,1H3,(H,13,14).
What are the key properties of 3-ethyl-1H-pyrrolo[3,2-b]pyridine-2-carboxylic acid?
3-ethyl-1H-pyrrolo[3,2-b]pyridine-2-carboxylic acid has a molecular weight of 190.20 g/mol, XLogP of 1.82, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1H-pyrrolo[3,2-b]pyridine-2-carboxylic acid is sourced from PubChem (CID 84662505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).