1-pyrrolo[3,4-b]pyridin-6-ylethanone

C9H8N2O — CID 154960576

IUPAC1-pyrrolo[3,4-b]pyridin-6-ylethanone
SMILESCC(=O)n1cc2cccnc2c1
InChIInChI=1S/C9H8N2O/c1-7(12)11-5-8-3-2-4-10-9(8)6-11/h2-6H,1H3
InChIKeySCFYGFWMFIRWLL-UHFFFAOYSA-N
MW160.18 g/mol
LogP1.70
Rot. Bonds

About 1-pyrrolo[3,4-b]pyridin-6-ylethanone

1-pyrrolo[3,4-b]pyridin-6-ylethanone (PubChem CID 154960576) has the molecular formula C9H8N2O and a molecular weight of 160.18 g/mol. Its IUPAC name is 1-pyrrolo[3,4-b]pyridin-6-ylethanone.

Molecular Properties

Compound Name1-pyrrolo[3,4-b]pyridin-6-ylethanone
PubChem CID154960576
Molecular FormulaC9H8N2O
Molecular Weight160.18 g/mol
Exact Mass160.06
IUPAC Name1-pyrrolo[3,4-b]pyridin-6-ylethanone
SMILESCC(=O)n1cc2cccnc2c1
InChIInChI=1S/C9H8N2O/c1-7(12)11-5-8-3-2-4-10-9(8)6-11/h2-6H,1H3
InChIKeySCFYGFWMFIRWLL-UHFFFAOYSA-N
XLogP1.70
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.18
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 161093040
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carbonic acid;quinoline
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1-pyridin-2-ylethanone;quinoline
CID 175538468
ethane;methanol;quinoline
CID 90686502
CID 174778702
CID 174778702
acetic acid;palladium;bis(1,10-phenanthroline)
CID 11261760
1-phenylpropan-1-one;quinoline
CID 174570718
ethane;quinoline-6-carboxylic acid
CID 91364452
6-benzylpyrrolo[3,4-b]pyridine
CID 71773530
quinoline
CID 76974643
quinoline;tetramethylsilane
CID 91292784

Frequently Asked Questions

What is the IUPAC name of 1-pyrrolo[3,4-b]pyridin-6-ylethanone?
The IUPAC name of 1-pyrrolo[3,4-b]pyridin-6-ylethanone (CID 154960576) is 1-pyrrolo[3,4-b]pyridin-6-ylethanone.
What is the SMILES notation for 1-pyrrolo[3,4-b]pyridin-6-ylethanone?
The canonical SMILES for 1-pyrrolo[3,4-b]pyridin-6-ylethanone is CC(=O)n1cc2cccnc2c1.
What is the InChIKey of 1-pyrrolo[3,4-b]pyridin-6-ylethanone?
The InChIKey is SCFYGFWMFIRWLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O/c1-7(12)11-5-8-3-2-4-10-9(8)6-11/h2-6H,1H3.
What are the key properties of 1-pyrrolo[3,4-b]pyridin-6-ylethanone?
1-pyrrolo[3,4-b]pyridin-6-ylethanone has a molecular weight of 160.18 g/mol, XLogP of 1.70, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyrrolo[3,4-b]pyridin-6-ylethanone is sourced from PubChem (CID 154960576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).