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

C11H12N2O3 — CID 86281017

IUPAC2-(2-hydroxypropan-2-yl)-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid
SMILESCC(C)(O)c1cc2nccc(C(=O)O)c2[nH]1
InChIInChI=1S/C11H12N2O3/c1-11(2,16)8-5-7-9(13-8)6(10(14)15)3-4-12-7/h3-5,13,16H,1-2H3,(H,14,15)
InChIKeyCBVFSACWQSKTBS-UHFFFAOYSA-N
MW220.23 g/mol
LogP1.49
Rot. Bonds2

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

2-(2-hydroxypropan-2-yl)-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid (PubChem CID 86281017) has the molecular formula C11H12N2O3 and a molecular weight of 220.23 g/mol. Its IUPAC name is 2-(2-hydroxypropan-2-yl)-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid.

Molecular Properties

Compound Name2-(2-hydroxypropan-2-yl)-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid
PubChem CID86281017
Molecular FormulaC11H12N2O3
Molecular Weight220.23 g/mol
Exact Mass220.08
IUPAC Name2-(2-hydroxypropan-2-yl)-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid
SMILESCC(C)(O)c1cc2nccc(C(=O)O)c2[nH]1
InChIInChI=1S/C11H12N2O3/c1-11(2,16)8-5-7-9(13-8)6(10(14)15)3-4-12-7/h3-5,13,16H,1-2H3,(H,14,15)
InChIKeyCBVFSACWQSKTBS-UHFFFAOYSA-N
XLogP1.49
TPSA86.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 51.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxypropan-2-yl)-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid?
The IUPAC name of 2-(2-hydroxypropan-2-yl)-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid (CID 86281017) is 2-(2-hydroxypropan-2-yl)-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid.
What is the SMILES notation for 2-(2-hydroxypropan-2-yl)-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid?
The canonical SMILES for 2-(2-hydroxypropan-2-yl)-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid is CC(C)(O)c1cc2nccc(C(=O)O)c2[nH]1.
What is the InChIKey of 2-(2-hydroxypropan-2-yl)-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid?
The InChIKey is CBVFSACWQSKTBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O3/c1-11(2,16)8-5-7-9(13-8)6(10(14)15)3-4-12-7/h3-5,13,16H,1-2H3,(H,14,15).
What are the key properties of 2-(2-hydroxypropan-2-yl)-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid?
2-(2-hydroxypropan-2-yl)-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid has a molecular weight of 220.23 g/mol, XLogP of 1.49, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxypropan-2-yl)-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid is sourced from PubChem (CID 86281017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).