5-(1-amino-2,2,2-trifluoroethyl)pyridine-2-carbaldehyde

C8H7F3N2O — CID 123742763

IUPAC5-(1-amino-2,2,2-trifluoroethyl)pyridine-2-carbaldehyde
SMILESNC(c1ccc(C=O)nc1)C(F)(F)F
InChIInChI=1S/C8H7F3N2O/c9-8(10,11)7(12)5-1-2-6(4-14)13-3-5/h1-4,7H,12H2
InChIKeyGBHZADRIDKTILP-UHFFFAOYSA-N
MW204.15 g/mol
LogP1.46
Rot. Bonds2

About 5-(1-amino-2,2,2-trifluoroethyl)pyridine-2-carbaldehyde

5-(1-amino-2,2,2-trifluoroethyl)pyridine-2-carbaldehyde (PubChem CID 123742763) has the molecular formula C8H7F3N2O and a molecular weight of 204.15 g/mol. Its IUPAC name is 5-(1-amino-2,2,2-trifluoroethyl)pyridine-2-carbaldehyde.

Molecular Properties

Compound Name5-(1-amino-2,2,2-trifluoroethyl)pyridine-2-carbaldehyde
PubChem CID123742763
Molecular FormulaC8H7F3N2O
Molecular Weight204.15 g/mol
Exact Mass204.05
IUPAC Name5-(1-amino-2,2,2-trifluoroethyl)pyridine-2-carbaldehyde
SMILESNC(c1ccc(C=O)nc1)C(F)(F)F
InChIInChI=1S/C8H7F3N2O/c9-8(10,11)7(12)5-1-2-6(4-14)13-3-5/h1-4,7H,12H2
InChIKeyGBHZADRIDKTILP-UHFFFAOYSA-N
XLogP1.46
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.15
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(1-amino-2,2,2-trifluoroethyl)pyridine-2-carbaldehyde?
The IUPAC name of 5-(1-amino-2,2,2-trifluoroethyl)pyridine-2-carbaldehyde (CID 123742763) is 5-(1-amino-2,2,2-trifluoroethyl)pyridine-2-carbaldehyde.
What is the SMILES notation for 5-(1-amino-2,2,2-trifluoroethyl)pyridine-2-carbaldehyde?
The canonical SMILES for 5-(1-amino-2,2,2-trifluoroethyl)pyridine-2-carbaldehyde is NC(c1ccc(C=O)nc1)C(F)(F)F.
What is the InChIKey of 5-(1-amino-2,2,2-trifluoroethyl)pyridine-2-carbaldehyde?
The InChIKey is GBHZADRIDKTILP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3N2O/c9-8(10,11)7(12)5-1-2-6(4-14)13-3-5/h1-4,7H,12H2.
What are the key properties of 5-(1-amino-2,2,2-trifluoroethyl)pyridine-2-carbaldehyde?
5-(1-amino-2,2,2-trifluoroethyl)pyridine-2-carbaldehyde has a molecular weight of 204.15 g/mol, XLogP of 1.46, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-amino-2,2,2-trifluoroethyl)pyridine-2-carbaldehyde is sourced from PubChem (CID 123742763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).