2-oxo-1,3-dihydropyrrolo[2,3-c]pyridine-4-carbaldehyde

C8H6N2O2 — CID 130115991

IUPAC2-oxo-1,3-dihydropyrrolo[2,3-c]pyridine-4-carbaldehyde
SMILESO=Cc1cncc2c1CC(=O)N2
InChIInChI=1S/C8H6N2O2/c11-4-5-2-9-3-7-6(5)1-8(12)10-7/h2-4H,1H2,(H,10,12)
InChIKeyLUUWYPFZYFDXPZ-UHFFFAOYSA-N
MW162.15 g/mol
LogP0.39
Rot. Bonds1

About 2-oxo-1,3-dihydropyrrolo[2,3-c]pyridine-4-carbaldehyde

2-oxo-1,3-dihydropyrrolo[2,3-c]pyridine-4-carbaldehyde (PubChem CID 130115991) has the molecular formula C8H6N2O2 and a molecular weight of 162.15 g/mol. Its IUPAC name is 2-oxo-1,3-dihydropyrrolo[2,3-c]pyridine-4-carbaldehyde.

Molecular Properties

Compound Name2-oxo-1,3-dihydropyrrolo[2,3-c]pyridine-4-carbaldehyde
PubChem CID130115991
Molecular FormulaC8H6N2O2
Molecular Weight162.15 g/mol
Exact Mass162.04
IUPAC Name2-oxo-1,3-dihydropyrrolo[2,3-c]pyridine-4-carbaldehyde
SMILESO=Cc1cncc2c1CC(=O)N2
InChIInChI=1S/C8H6N2O2/c11-4-5-2-9-3-7-6(5)1-8(12)10-7/h2-4H,1H2,(H,10,12)
InChIKeyLUUWYPFZYFDXPZ-UHFFFAOYSA-N
XLogP0.39
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.15
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

1H-1,7-naphthyridine-2,4-dione
CID 125415230
1,3-dihydropyrrolo[2,3-c]quinolin-2-one
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5-(2-oxo-1,3-dihydroindol-4-yl)pyridine-3-carboxylic acid
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6-chloro-4-fluoro-1,3-dihydroindol-2-one
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CID 158929871
4-(5-propan-2-yloxy-3-pyridinyl)-1,3-dihydroindol-2-one
CID 167982525
3-(2-oxo-1,3-dihydroindol-4-yl)butanal
CID 117291451
4-(1H-pyrazol-4-yl)-1,3-dihydroindol-2-one
CID 175842176
4-(2-pyridin-3-ylethenyl)-1,3-dihydro-1,5-benzodiazepin-2-one
CID 3578021
4,5-dibromo-1,3-dihydropyrrolo[2,3-b]pyridin-2-one
CID 74787751
5-fluoro-1,3-dihydropyrrolo[2,3-c]pyridin-2-one
CID 137347254

Frequently Asked Questions

What is the IUPAC name of 2-oxo-1,3-dihydropyrrolo[2,3-c]pyridine-4-carbaldehyde?
The IUPAC name of 2-oxo-1,3-dihydropyrrolo[2,3-c]pyridine-4-carbaldehyde (CID 130115991) is 2-oxo-1,3-dihydropyrrolo[2,3-c]pyridine-4-carbaldehyde.
What is the SMILES notation for 2-oxo-1,3-dihydropyrrolo[2,3-c]pyridine-4-carbaldehyde?
The canonical SMILES for 2-oxo-1,3-dihydropyrrolo[2,3-c]pyridine-4-carbaldehyde is O=Cc1cncc2c1CC(=O)N2.
What is the InChIKey of 2-oxo-1,3-dihydropyrrolo[2,3-c]pyridine-4-carbaldehyde?
The InChIKey is LUUWYPFZYFDXPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2O2/c11-4-5-2-9-3-7-6(5)1-8(12)10-7/h2-4H,1H2,(H,10,12).
What are the key properties of 2-oxo-1,3-dihydropyrrolo[2,3-c]pyridine-4-carbaldehyde?
2-oxo-1,3-dihydropyrrolo[2,3-c]pyridine-4-carbaldehyde has a molecular weight of 162.15 g/mol, XLogP of 0.39, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-1,3-dihydropyrrolo[2,3-c]pyridine-4-carbaldehyde is sourced from PubChem (CID 130115991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).