4,7-dimethoxy-2,3-dihydro-1H-pyrrolo[2,3-c]pyridine

C9H12N2O2 — CID 89145951

IUPAC4,7-dimethoxy-2,3-dihydro-1H-pyrrolo[2,3-c]pyridine
SMILESCOc1cnc(OC)c2c1CCN2
InChIInChI=1S/C9H12N2O2/c1-12-7-5-11-9(13-2)8-6(7)3-4-10-8/h5,10H,3-4H2,1-2H3
InChIKeyVVELGQOIWHPVTO-UHFFFAOYSA-N
MW180.21 g/mol
LogP1.07
Rot. Bonds2

About 4,7-dimethoxy-2,3-dihydro-1H-pyrrolo[2,3-c]pyridine

4,7-dimethoxy-2,3-dihydro-1H-pyrrolo[2,3-c]pyridine (PubChem CID 89145951) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is 4,7-dimethoxy-2,3-dihydro-1H-pyrrolo[2,3-c]pyridine.

Molecular Properties

Compound Name4,7-dimethoxy-2,3-dihydro-1H-pyrrolo[2,3-c]pyridine
PubChem CID89145951
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC Name4,7-dimethoxy-2,3-dihydro-1H-pyrrolo[2,3-c]pyridine
SMILESCOc1cnc(OC)c2c1CCN2
InChIInChI=1S/C9H12N2O2/c1-12-7-5-11-9(13-2)8-6(7)3-4-10-8/h5,10H,3-4H2,1-2H3
InChIKeyVVELGQOIWHPVTO-UHFFFAOYSA-N
XLogP1.07
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,7-dimethoxy-2,3-dihydro-1H-pyrrolo[2,3-c]pyridine?
The IUPAC name of 4,7-dimethoxy-2,3-dihydro-1H-pyrrolo[2,3-c]pyridine (CID 89145951) is 4,7-dimethoxy-2,3-dihydro-1H-pyrrolo[2,3-c]pyridine.
What is the SMILES notation for 4,7-dimethoxy-2,3-dihydro-1H-pyrrolo[2,3-c]pyridine?
The canonical SMILES for 4,7-dimethoxy-2,3-dihydro-1H-pyrrolo[2,3-c]pyridine is COc1cnc(OC)c2c1CCN2.
What is the InChIKey of 4,7-dimethoxy-2,3-dihydro-1H-pyrrolo[2,3-c]pyridine?
The InChIKey is VVELGQOIWHPVTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2/c1-12-7-5-11-9(13-2)8-6(7)3-4-10-8/h5,10H,3-4H2,1-2H3.
What are the key properties of 4,7-dimethoxy-2,3-dihydro-1H-pyrrolo[2,3-c]pyridine?
4,7-dimethoxy-2,3-dihydro-1H-pyrrolo[2,3-c]pyridine has a molecular weight of 180.21 g/mol, XLogP of 1.07, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-dimethoxy-2,3-dihydro-1H-pyrrolo[2,3-c]pyridine is sourced from PubChem (CID 89145951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).