4-(trifluoromethyl)-1,3-dihydropyrrolo[3,4-c]pyridine-2-carbaldehyde

C9H7F3N2O — CID 123827838

IUPAC4-(trifluoromethyl)-1,3-dihydropyrrolo[3,4-c]pyridine-2-carbaldehyde
SMILESO=CN1Cc2ccnc(C(F)(F)F)c2C1
InChIInChI=1S/C9H7F3N2O/c10-9(11,12)8-7-4-14(5-15)3-6(7)1-2-13-8/h1-2,5H,3-4H2
InChIKeyDAMGJSMEOSZRIA-UHFFFAOYSA-N
MW216.16 g/mol
LogP1.57
Rot. Bonds1

About 4-(trifluoromethyl)-1,3-dihydropyrrolo[3,4-c]pyridine-2-carbaldehyde

4-(trifluoromethyl)-1,3-dihydropyrrolo[3,4-c]pyridine-2-carbaldehyde (PubChem CID 123827838) has the molecular formula C9H7F3N2O and a molecular weight of 216.16 g/mol. Its IUPAC name is 4-(trifluoromethyl)-1,3-dihydropyrrolo[3,4-c]pyridine-2-carbaldehyde.

Molecular Properties

Compound Name4-(trifluoromethyl)-1,3-dihydropyrrolo[3,4-c]pyridine-2-carbaldehyde
PubChem CID123827838
Molecular FormulaC9H7F3N2O
Molecular Weight216.16 g/mol
Exact Mass216.05
IUPAC Name4-(trifluoromethyl)-1,3-dihydropyrrolo[3,4-c]pyridine-2-carbaldehyde
SMILESO=CN1Cc2ccnc(C(F)(F)F)c2C1
InChIInChI=1S/C9H7F3N2O/c10-9(11,12)8-7-4-14(5-15)3-6(7)1-2-13-8/h1-2,5H,3-4H2
InChIKeyDAMGJSMEOSZRIA-UHFFFAOYSA-N
XLogP1.57
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.16
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(trifluoromethyl)-1,3-dihydropyrrolo[3,4-c]pyridine-2-carbaldehyde?
The IUPAC name of 4-(trifluoromethyl)-1,3-dihydropyrrolo[3,4-c]pyridine-2-carbaldehyde (CID 123827838) is 4-(trifluoromethyl)-1,3-dihydropyrrolo[3,4-c]pyridine-2-carbaldehyde.
What is the SMILES notation for 4-(trifluoromethyl)-1,3-dihydropyrrolo[3,4-c]pyridine-2-carbaldehyde?
The canonical SMILES for 4-(trifluoromethyl)-1,3-dihydropyrrolo[3,4-c]pyridine-2-carbaldehyde is O=CN1Cc2ccnc(C(F)(F)F)c2C1.
What is the InChIKey of 4-(trifluoromethyl)-1,3-dihydropyrrolo[3,4-c]pyridine-2-carbaldehyde?
The InChIKey is DAMGJSMEOSZRIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F3N2O/c10-9(11,12)8-7-4-14(5-15)3-6(7)1-2-13-8/h1-2,5H,3-4H2.
What are the key properties of 4-(trifluoromethyl)-1,3-dihydropyrrolo[3,4-c]pyridine-2-carbaldehyde?
4-(trifluoromethyl)-1,3-dihydropyrrolo[3,4-c]pyridine-2-carbaldehyde has a molecular weight of 216.16 g/mol, XLogP of 1.57, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(trifluoromethyl)-1,3-dihydropyrrolo[3,4-c]pyridine-2-carbaldehyde is sourced from PubChem (CID 123827838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).