2-(1-hydroxyethyl)-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid

C10H10N2O3 — CID 86281021

IUPAC2-(1-hydroxyethyl)-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid
SMILESCC(O)c1cc2nccc(C(=O)O)c2[nH]1
InChIInChI=1S/C10H10N2O3/c1-5(13)7-4-8-9(12-7)6(10(14)15)2-3-11-8/h2-5,12-13H,1H3,(H,14,15)
InChIKeyRMCMBFPHTFWEBT-UHFFFAOYSA-N
MW206.20 g/mol
LogP1.31
Rot. Bonds2

About 2-(1-hydroxyethyl)-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid

2-(1-hydroxyethyl)-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid (PubChem CID 86281021) has the molecular formula C10H10N2O3 and a molecular weight of 206.20 g/mol. Its IUPAC name is 2-(1-hydroxyethyl)-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid.

Molecular Properties

Compound Name2-(1-hydroxyethyl)-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid
PubChem CID86281021
Molecular FormulaC10H10N2O3
Molecular Weight206.20 g/mol
Exact Mass206.07
IUPAC Name2-(1-hydroxyethyl)-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid
SMILESCC(O)c1cc2nccc(C(=O)O)c2[nH]1
InChIInChI=1S/C10H10N2O3/c1-5(13)7-4-8-9(12-7)6(10(14)15)2-3-11-8/h2-5,12-13H,1H3,(H,14,15)
InChIKeyRMCMBFPHTFWEBT-UHFFFAOYSA-N
XLogP1.31
TPSA86.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.20
LogP ≤ 51.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-hydroxyethyl)-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid?
The IUPAC name of 2-(1-hydroxyethyl)-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid (CID 86281021) is 2-(1-hydroxyethyl)-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid.
What is the SMILES notation for 2-(1-hydroxyethyl)-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid?
The canonical SMILES for 2-(1-hydroxyethyl)-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid is CC(O)c1cc2nccc(C(=O)O)c2[nH]1.
What is the InChIKey of 2-(1-hydroxyethyl)-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid?
The InChIKey is RMCMBFPHTFWEBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O3/c1-5(13)7-4-8-9(12-7)6(10(14)15)2-3-11-8/h2-5,12-13H,1H3,(H,14,15).
What are the key properties of 2-(1-hydroxyethyl)-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid?
2-(1-hydroxyethyl)-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid has a molecular weight of 206.20 g/mol, XLogP of 1.31, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hydroxyethyl)-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid is sourced from PubChem (CID 86281021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).