7-acetylfuro[3,2-c]pyridine-2-carbaldehyde

C10H7NO3 — CID 118216172

IUPAC7-acetylfuro[3,2-c]pyridine-2-carbaldehyde
SMILESCC(=O)c1cncc2cc(C=O)oc12
InChIInChI=1S/C10H7NO3/c1-6(13)9-4-11-3-7-2-8(5-12)14-10(7)9/h2-5H,1H3
InChIKeyQRBFICIFOJABIS-UHFFFAOYSA-N
MW189.17 g/mol
LogP1.84
Rot. Bonds2

About 7-acetylfuro[3,2-c]pyridine-2-carbaldehyde

7-acetylfuro[3,2-c]pyridine-2-carbaldehyde (PubChem CID 118216172) has the molecular formula C10H7NO3 and a molecular weight of 189.17 g/mol. Its IUPAC name is 7-acetylfuro[3,2-c]pyridine-2-carbaldehyde.

Molecular Properties

Compound Name7-acetylfuro[3,2-c]pyridine-2-carbaldehyde
PubChem CID118216172
Molecular FormulaC10H7NO3
Molecular Weight189.17 g/mol
Exact Mass189.04
IUPAC Name7-acetylfuro[3,2-c]pyridine-2-carbaldehyde
SMILESCC(=O)c1cncc2cc(C=O)oc12
InChIInChI=1S/C10H7NO3/c1-6(13)9-4-11-3-7-2-8(5-12)14-10(7)9/h2-5H,1H3
InChIKeyQRBFICIFOJABIS-UHFFFAOYSA-N
XLogP1.84
TPSA60.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.17
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-acetylfuro[3,2-c]pyridine-2-carbaldehyde?
The IUPAC name of 7-acetylfuro[3,2-c]pyridine-2-carbaldehyde (CID 118216172) is 7-acetylfuro[3,2-c]pyridine-2-carbaldehyde.
What is the SMILES notation for 7-acetylfuro[3,2-c]pyridine-2-carbaldehyde?
The canonical SMILES for 7-acetylfuro[3,2-c]pyridine-2-carbaldehyde is CC(=O)c1cncc2cc(C=O)oc12.
What is the InChIKey of 7-acetylfuro[3,2-c]pyridine-2-carbaldehyde?
The InChIKey is QRBFICIFOJABIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7NO3/c1-6(13)9-4-11-3-7-2-8(5-12)14-10(7)9/h2-5H,1H3.
What are the key properties of 7-acetylfuro[3,2-c]pyridine-2-carbaldehyde?
7-acetylfuro[3,2-c]pyridine-2-carbaldehyde has a molecular weight of 189.17 g/mol, XLogP of 1.84, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-acetylfuro[3,2-c]pyridine-2-carbaldehyde is sourced from PubChem (CID 118216172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).