6-(trifluoromethyl)-1H-pyrrolo[3,2-b]pyridine-3-carbaldehyde

C9H5F3N2O — CID 46856436

IUPAC6-(trifluoromethyl)-1H-pyrrolo[3,2-b]pyridine-3-carbaldehyde
SMILESO=Cc1c[nH]c2cc(C(F)(F)F)cnc12
InChIInChI=1S/C9H5F3N2O/c10-9(11,12)6-1-7-8(14-3-6)5(4-15)2-13-7/h1-4,13H
InChIKeyAIJADIOUVVNAKY-UHFFFAOYSA-N
MW214.15 g/mol
LogP2.39
Rot. Bonds1

About 6-(trifluoromethyl)-1H-pyrrolo[3,2-b]pyridine-3-carbaldehyde

6-(trifluoromethyl)-1H-pyrrolo[3,2-b]pyridine-3-carbaldehyde (PubChem CID 46856436) has the molecular formula C9H5F3N2O and a molecular weight of 214.15 g/mol. Its IUPAC name is 6-(trifluoromethyl)-1H-pyrrolo[3,2-b]pyridine-3-carbaldehyde.

Molecular Properties

Compound Name6-(trifluoromethyl)-1H-pyrrolo[3,2-b]pyridine-3-carbaldehyde
PubChem CID46856436
Molecular FormulaC9H5F3N2O
Molecular Weight214.15 g/mol
Exact Mass214.04
IUPAC Name6-(trifluoromethyl)-1H-pyrrolo[3,2-b]pyridine-3-carbaldehyde
SMILESO=Cc1c[nH]c2cc(C(F)(F)F)cnc12
InChIInChI=1S/C9H5F3N2O/c10-9(11,12)6-1-7-8(14-3-6)5(4-15)2-13-7/h1-4,13H
InChIKeyAIJADIOUVVNAKY-UHFFFAOYSA-N
XLogP2.39
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.15
LogP ≤ 52.39
H-Bond Donors ≤ 51
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 6-(trifluoromethyl)-1H-pyrrolo[3,2-b]pyridine-3-carbaldehyde?
The IUPAC name of 6-(trifluoromethyl)-1H-pyrrolo[3,2-b]pyridine-3-carbaldehyde (CID 46856436) is 6-(trifluoromethyl)-1H-pyrrolo[3,2-b]pyridine-3-carbaldehyde.
What is the SMILES notation for 6-(trifluoromethyl)-1H-pyrrolo[3,2-b]pyridine-3-carbaldehyde?
The canonical SMILES for 6-(trifluoromethyl)-1H-pyrrolo[3,2-b]pyridine-3-carbaldehyde is O=Cc1c[nH]c2cc(C(F)(F)F)cnc12.
What is the InChIKey of 6-(trifluoromethyl)-1H-pyrrolo[3,2-b]pyridine-3-carbaldehyde?
The InChIKey is AIJADIOUVVNAKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5F3N2O/c10-9(11,12)6-1-7-8(14-3-6)5(4-15)2-13-7/h1-4,13H.
What are the key properties of 6-(trifluoromethyl)-1H-pyrrolo[3,2-b]pyridine-3-carbaldehyde?
6-(trifluoromethyl)-1H-pyrrolo[3,2-b]pyridine-3-carbaldehyde has a molecular weight of 214.15 g/mol, XLogP of 2.39, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(trifluoromethyl)-1H-pyrrolo[3,2-b]pyridine-3-carbaldehyde is sourced from PubChem (CID 46856436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).