5-methoxy-2,3-dihydro-1H-pyrrolo[2,3-c]pyridine-2-carboxylic acid

C9H10N2O3 — CID 175311120

IUPAC5-methoxy-2,3-dihydro-1H-pyrrolo[2,3-c]pyridine-2-carboxylic acid
SMILESCOc1cc2c(cn1)NC(C(=O)O)C2
InChIInChI=1S/C9H10N2O3/c1-14-8-3-5-2-6(9(12)13)11-7(5)4-10-8/h3-4,6,11H,2H2,1H3,(H,12,13)
InChIKeyHEUMRBLBPRCQLP-UHFFFAOYSA-N
MW194.19 g/mol
LogP0.51
Rot. Bonds2

About 5-methoxy-2,3-dihydro-1H-pyrrolo[2,3-c]pyridine-2-carboxylic acid

5-methoxy-2,3-dihydro-1H-pyrrolo[2,3-c]pyridine-2-carboxylic acid (PubChem CID 175311120) has the molecular formula C9H10N2O3 and a molecular weight of 194.19 g/mol. Its IUPAC name is 5-methoxy-2,3-dihydro-1H-pyrrolo[2,3-c]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-methoxy-2,3-dihydro-1H-pyrrolo[2,3-c]pyridine-2-carboxylic acid
PubChem CID175311120
Molecular FormulaC9H10N2O3
Molecular Weight194.19 g/mol
Exact Mass194.07
IUPAC Name5-methoxy-2,3-dihydro-1H-pyrrolo[2,3-c]pyridine-2-carboxylic acid
SMILESCOc1cc2c(cn1)NC(C(=O)O)C2
InChIInChI=1S/C9H10N2O3/c1-14-8-3-5-2-6(9(12)13)11-7(5)4-10-8/h3-4,6,11H,2H2,1H3,(H,12,13)
InChIKeyHEUMRBLBPRCQLP-UHFFFAOYSA-N
XLogP0.51
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.19
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2,3-dihydro-1H-pyrrolo[2,3-c]pyridine-2-carboxylic acid?
The IUPAC name of 5-methoxy-2,3-dihydro-1H-pyrrolo[2,3-c]pyridine-2-carboxylic acid (CID 175311120) is 5-methoxy-2,3-dihydro-1H-pyrrolo[2,3-c]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-methoxy-2,3-dihydro-1H-pyrrolo[2,3-c]pyridine-2-carboxylic acid?
The canonical SMILES for 5-methoxy-2,3-dihydro-1H-pyrrolo[2,3-c]pyridine-2-carboxylic acid is COc1cc2c(cn1)NC(C(=O)O)C2.
What is the InChIKey of 5-methoxy-2,3-dihydro-1H-pyrrolo[2,3-c]pyridine-2-carboxylic acid?
The InChIKey is HEUMRBLBPRCQLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O3/c1-14-8-3-5-2-6(9(12)13)11-7(5)4-10-8/h3-4,6,11H,2H2,1H3,(H,12,13).
What are the key properties of 5-methoxy-2,3-dihydro-1H-pyrrolo[2,3-c]pyridine-2-carboxylic acid?
5-methoxy-2,3-dihydro-1H-pyrrolo[2,3-c]pyridine-2-carboxylic acid has a molecular weight of 194.19 g/mol, XLogP of 0.51, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2,3-dihydro-1H-pyrrolo[2,3-c]pyridine-2-carboxylic acid is sourced from PubChem (CID 175311120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).