3-(trifluoromethyl)-2H-pyridine-3-carbaldehyde

C7H6F3NO — CID 156872630

IUPAC3-(trifluoromethyl)-2H-pyridine-3-carbaldehyde
SMILESO=CC1(C(F)(F)F)C=CC=NC1
InChIInChI=1S/C7H6F3NO/c8-7(9,10)6(5-12)2-1-3-11-4-6/h1-3,5H,4H2
InChIKeyUDKVVNWYJIPVMC-UHFFFAOYSA-N
MW177.13 g/mol
LogP1.37
Rot. Bonds1

About 3-(trifluoromethyl)-2H-pyridine-3-carbaldehyde

3-(trifluoromethyl)-2H-pyridine-3-carbaldehyde (PubChem CID 156872630) has the molecular formula C7H6F3NO and a molecular weight of 177.13 g/mol. Its IUPAC name is 3-(trifluoromethyl)-2H-pyridine-3-carbaldehyde.

Molecular Properties

Compound Name3-(trifluoromethyl)-2H-pyridine-3-carbaldehyde
PubChem CID156872630
Molecular FormulaC7H6F3NO
Molecular Weight177.13 g/mol
Exact Mass177.04
IUPAC Name3-(trifluoromethyl)-2H-pyridine-3-carbaldehyde
SMILESO=CC1(C(F)(F)F)C=CC=NC1
InChIInChI=1S/C7H6F3NO/c8-7(9,10)6(5-12)2-1-3-11-4-6/h1-3,5H,4H2
InChIKeyUDKVVNWYJIPVMC-UHFFFAOYSA-N
XLogP1.37
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.13
LogP ≤ 51.37
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 3-(trifluoromethyl)-2H-pyridine-3-carbaldehyde?
The IUPAC name of 3-(trifluoromethyl)-2H-pyridine-3-carbaldehyde (CID 156872630) is 3-(trifluoromethyl)-2H-pyridine-3-carbaldehyde.
What is the SMILES notation for 3-(trifluoromethyl)-2H-pyridine-3-carbaldehyde?
The canonical SMILES for 3-(trifluoromethyl)-2H-pyridine-3-carbaldehyde is O=CC1(C(F)(F)F)C=CC=NC1.
What is the InChIKey of 3-(trifluoromethyl)-2H-pyridine-3-carbaldehyde?
The InChIKey is UDKVVNWYJIPVMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F3NO/c8-7(9,10)6(5-12)2-1-3-11-4-6/h1-3,5H,4H2.
What are the key properties of 3-(trifluoromethyl)-2H-pyridine-3-carbaldehyde?
3-(trifluoromethyl)-2H-pyridine-3-carbaldehyde has a molecular weight of 177.13 g/mol, XLogP of 1.37, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(trifluoromethyl)-2H-pyridine-3-carbaldehyde is sourced from PubChem (CID 156872630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).