5,6-dimethoxy-1H-pyrrolo[2,3-b]pyridine

C9H10N2O2 — CID 74891232

IUPAC5,6-dimethoxy-1H-pyrrolo[2,3-b]pyridine
SMILESCOc1cc2cc[nH]c2nc1OC
InChIInChI=1S/C9H10N2O2/c1-12-7-5-6-3-4-10-8(6)11-9(7)13-2/h3-5H,1-2H3,(H,10,11)
InChIKeyBHISQMPGJQHROG-UHFFFAOYSA-N
MW178.19 g/mol
LogP1.58
Rot. Bonds2

About 5,6-dimethoxy-1H-pyrrolo[2,3-b]pyridine

5,6-dimethoxy-1H-pyrrolo[2,3-b]pyridine (PubChem CID 74891232) has the molecular formula C9H10N2O2 and a molecular weight of 178.19 g/mol. Its IUPAC name is 5,6-dimethoxy-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name5,6-dimethoxy-1H-pyrrolo[2,3-b]pyridine
PubChem CID74891232
Molecular FormulaC9H10N2O2
Molecular Weight178.19 g/mol
Exact Mass178.07
IUPAC Name5,6-dimethoxy-1H-pyrrolo[2,3-b]pyridine
SMILESCOc1cc2cc[nH]c2nc1OC
InChIInChI=1S/C9H10N2O2/c1-12-7-5-6-3-4-10-8(6)11-9(7)13-2/h3-5H,1-2H3,(H,10,11)
InChIKeyBHISQMPGJQHROG-UHFFFAOYSA-N
XLogP1.58
TPSA47.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethoxy-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 5,6-dimethoxy-1H-pyrrolo[2,3-b]pyridine (CID 74891232) is 5,6-dimethoxy-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 5,6-dimethoxy-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 5,6-dimethoxy-1H-pyrrolo[2,3-b]pyridine is COc1cc2cc[nH]c2nc1OC.
What is the InChIKey of 5,6-dimethoxy-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is BHISQMPGJQHROG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O2/c1-12-7-5-6-3-4-10-8(6)11-9(7)13-2/h3-5H,1-2H3,(H,10,11).
What are the key properties of 5,6-dimethoxy-1H-pyrrolo[2,3-b]pyridine?
5,6-dimethoxy-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 178.19 g/mol, XLogP of 1.58, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethoxy-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 74891232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).