6-(trifluoromethyl)pyridine-3-carbaldehyde

C7H4F3NO — CID 2777762

IUPAC6-(trifluoromethyl)pyridine-3-carbaldehyde
SMILESO=Cc1ccc(C(F)(F)F)nc1
InChIInChI=1S/C7H4F3NO/c8-7(9,10)6-2-1-5(4-12)3-11-6/h1-4H
InChIKeyMRPAGRCGPAXOGS-UHFFFAOYSA-N
MW175.11 g/mol
LogP1.91
Rot. Bonds1

About 6-(trifluoromethyl)pyridine-3-carbaldehyde

6-(trifluoromethyl)pyridine-3-carbaldehyde (PubChem CID 2777762) has the molecular formula C7H4F3NO and a molecular weight of 175.11 g/mol. Its IUPAC name is 6-(trifluoromethyl)pyridine-3-carbaldehyde.

Molecular Properties

Compound Name6-(trifluoromethyl)pyridine-3-carbaldehyde
PubChem CID2777762
Molecular FormulaC7H4F3NO
Molecular Weight175.11 g/mol
Exact Mass175.02
IUPAC Name6-(trifluoromethyl)pyridine-3-carbaldehyde
SMILESO=Cc1ccc(C(F)(F)F)nc1
InChIInChI=1S/C7H4F3NO/c8-7(9,10)6-2-1-5(4-12)3-11-6/h1-4H
InChIKeyMRPAGRCGPAXOGS-UHFFFAOYSA-N
XLogP1.91
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.11
LogP ≤ 51.91
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 6-(trifluoromethyl)pyridine-3-carbaldehyde?
The IUPAC name of 6-(trifluoromethyl)pyridine-3-carbaldehyde (CID 2777762) is 6-(trifluoromethyl)pyridine-3-carbaldehyde.
What is the SMILES notation for 6-(trifluoromethyl)pyridine-3-carbaldehyde?
The canonical SMILES for 6-(trifluoromethyl)pyridine-3-carbaldehyde is O=Cc1ccc(C(F)(F)F)nc1.
What is the InChIKey of 6-(trifluoromethyl)pyridine-3-carbaldehyde?
The InChIKey is MRPAGRCGPAXOGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F3NO/c8-7(9,10)6-2-1-5(4-12)3-11-6/h1-4H.
What are the key properties of 6-(trifluoromethyl)pyridine-3-carbaldehyde?
6-(trifluoromethyl)pyridine-3-carbaldehyde has a molecular weight of 175.11 g/mol, XLogP of 1.91, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(trifluoromethyl)pyridine-3-carbaldehyde is sourced from PubChem (CID 2777762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).