1-methyl-5,6-dihydropyrrolo[2,3-c]pyridine-3-carboxylic acid

C9H10N2O2 — CID 86341599

IUPAC1-methyl-5,6-dihydropyrrolo[2,3-c]pyridine-3-carboxylic acid
SMILESCn1cc(C(=O)O)c2c1=CNCC=2
InChIInChI=1S/C9H10N2O2/c1-11-5-7(9(12)13)6-2-3-10-4-8(6)11/h2,4-5,10H,3H2,1H3,(H,12,13)
InChIKeyPHVJNZPOHZTEGA-UHFFFAOYSA-N
MW178.19 g/mol
LogP-1.15
Rot. Bonds1

About 1-methyl-5,6-dihydropyrrolo[2,3-c]pyridine-3-carboxylic acid

1-methyl-5,6-dihydropyrrolo[2,3-c]pyridine-3-carboxylic acid (PubChem CID 86341599) has the molecular formula C9H10N2O2 and a molecular weight of 178.19 g/mol. Its IUPAC name is 1-methyl-5,6-dihydropyrrolo[2,3-c]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name1-methyl-5,6-dihydropyrrolo[2,3-c]pyridine-3-carboxylic acid
PubChem CID86341599
Molecular FormulaC9H10N2O2
Molecular Weight178.19 g/mol
Exact Mass178.07
IUPAC Name1-methyl-5,6-dihydropyrrolo[2,3-c]pyridine-3-carboxylic acid
SMILESCn1cc(C(=O)O)c2c1=CNCC=2
InChIInChI=1S/C9H10N2O2/c1-11-5-7(9(12)13)6-2-3-10-4-8(6)11/h2,4-5,10H,3H2,1H3,(H,12,13)
InChIKeyPHVJNZPOHZTEGA-UHFFFAOYSA-N
XLogP-1.15
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 5-1.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5,6-dihydropyrrolo[2,3-c]pyridine-3-carboxylic acid?
The IUPAC name of 1-methyl-5,6-dihydropyrrolo[2,3-c]pyridine-3-carboxylic acid (CID 86341599) is 1-methyl-5,6-dihydropyrrolo[2,3-c]pyridine-3-carboxylic acid.
What is the SMILES notation for 1-methyl-5,6-dihydropyrrolo[2,3-c]pyridine-3-carboxylic acid?
The canonical SMILES for 1-methyl-5,6-dihydropyrrolo[2,3-c]pyridine-3-carboxylic acid is Cn1cc(C(=O)O)c2c1=CNCC=2.
What is the InChIKey of 1-methyl-5,6-dihydropyrrolo[2,3-c]pyridine-3-carboxylic acid?
The InChIKey is PHVJNZPOHZTEGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O2/c1-11-5-7(9(12)13)6-2-3-10-4-8(6)11/h2,4-5,10H,3H2,1H3,(H,12,13).
What are the key properties of 1-methyl-5,6-dihydropyrrolo[2,3-c]pyridine-3-carboxylic acid?
1-methyl-5,6-dihydropyrrolo[2,3-c]pyridine-3-carboxylic acid has a molecular weight of 178.19 g/mol, XLogP of -1.15, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5,6-dihydropyrrolo[2,3-c]pyridine-3-carboxylic acid is sourced from PubChem (CID 86341599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).