1-methyl-2,3-dihydropyrrolo[3,2-b]pyridine-7-carboxylic acid

C9H10N2O2 — CID 84656372

IUPAC1-methyl-2,3-dihydropyrrolo[3,2-b]pyridine-7-carboxylic acid
SMILESCN1CCc2nccc(C(=O)O)c21
InChIInChI=1S/C9H10N2O2/c1-11-5-3-7-8(11)6(9(12)13)2-4-10-7/h2,4H,3,5H2,1H3,(H,12,13)
InChIKeyNHRWPPHMXVUJLZ-UHFFFAOYSA-N
MW178.19 g/mol
LogP0.77
Rot. Bonds1

About 1-methyl-2,3-dihydropyrrolo[3,2-b]pyridine-7-carboxylic acid

1-methyl-2,3-dihydropyrrolo[3,2-b]pyridine-7-carboxylic acid (PubChem CID 84656372) has the molecular formula C9H10N2O2 and a molecular weight of 178.19 g/mol. Its IUPAC name is 1-methyl-2,3-dihydropyrrolo[3,2-b]pyridine-7-carboxylic acid.

Molecular Properties

Compound Name1-methyl-2,3-dihydropyrrolo[3,2-b]pyridine-7-carboxylic acid
PubChem CID84656372
Molecular FormulaC9H10N2O2
Molecular Weight178.19 g/mol
Exact Mass178.07
IUPAC Name1-methyl-2,3-dihydropyrrolo[3,2-b]pyridine-7-carboxylic acid
SMILESCN1CCc2nccc(C(=O)O)c21
InChIInChI=1S/C9H10N2O2/c1-11-5-3-7-8(11)6(9(12)13)2-4-10-7/h2,4H,3,5H2,1H3,(H,12,13)
InChIKeyNHRWPPHMXVUJLZ-UHFFFAOYSA-N
XLogP0.77
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2,3-dihydropyrrolo[3,2-b]pyridine-7-carboxylic acid?
The IUPAC name of 1-methyl-2,3-dihydropyrrolo[3,2-b]pyridine-7-carboxylic acid (CID 84656372) is 1-methyl-2,3-dihydropyrrolo[3,2-b]pyridine-7-carboxylic acid.
What is the SMILES notation for 1-methyl-2,3-dihydropyrrolo[3,2-b]pyridine-7-carboxylic acid?
The canonical SMILES for 1-methyl-2,3-dihydropyrrolo[3,2-b]pyridine-7-carboxylic acid is CN1CCc2nccc(C(=O)O)c21.
What is the InChIKey of 1-methyl-2,3-dihydropyrrolo[3,2-b]pyridine-7-carboxylic acid?
The InChIKey is NHRWPPHMXVUJLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O2/c1-11-5-3-7-8(11)6(9(12)13)2-4-10-7/h2,4H,3,5H2,1H3,(H,12,13).
What are the key properties of 1-methyl-2,3-dihydropyrrolo[3,2-b]pyridine-7-carboxylic acid?
1-methyl-2,3-dihydropyrrolo[3,2-b]pyridine-7-carboxylic acid has a molecular weight of 178.19 g/mol, XLogP of 0.77, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2,3-dihydropyrrolo[3,2-b]pyridine-7-carboxylic acid is sourced from PubChem (CID 84656372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).