3-amino-4-(trifluoromethyl)pyridine-2-carbaldehyde

C7H5F3N2O — CID 131117139

IUPAC3-amino-4-(trifluoromethyl)pyridine-2-carbaldehyde
SMILESNc1c(C(F)(F)F)ccnc1C=O
InChIInChI=1S/C7H5F3N2O/c8-7(9,10)4-1-2-12-5(3-13)6(4)11/h1-3H,11H2
InChIKeyIGPSCQNHQVQRRV-UHFFFAOYSA-N
MW190.12 g/mol
LogP1.50
Rot. Bonds1

About 3-amino-4-(trifluoromethyl)pyridine-2-carbaldehyde

3-amino-4-(trifluoromethyl)pyridine-2-carbaldehyde (PubChem CID 131117139) has the molecular formula C7H5F3N2O and a molecular weight of 190.12 g/mol. Its IUPAC name is 3-amino-4-(trifluoromethyl)pyridine-2-carbaldehyde.

Molecular Properties

Compound Name3-amino-4-(trifluoromethyl)pyridine-2-carbaldehyde
PubChem CID131117139
Molecular FormulaC7H5F3N2O
Molecular Weight190.12 g/mol
Exact Mass190.04
IUPAC Name3-amino-4-(trifluoromethyl)pyridine-2-carbaldehyde
SMILESNc1c(C(F)(F)F)ccnc1C=O
InChIInChI=1S/C7H5F3N2O/c8-7(9,10)4-1-2-12-5(3-13)6(4)11/h1-3H,11H2
InChIKeyIGPSCQNHQVQRRV-UHFFFAOYSA-N
XLogP1.50
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.12
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(Trifluoromethyl)picolinamide
CID 4277056
6-(Trifluoromethyl)nicotinamide
CID 2777545
Pyridine-2,3-dicarboxamide
CID 578921
6-(Trifluoromethyl)pyridine-3-carboxaldehyde
CID 2777762
5-(2,2,2-Trifluoroacetyl)pyridine-2-carboxamide
CID 25023823
1-(3-Amino-4-methylpyridin-2-YL)ethanone
CID 44533427
4-(Aminomethyl)-N-(2,2,2-trifluoroethyl)picolinamide trifluoroacetate
CID 122516149
3-Methylpyridine-2-carboxaldehyde
CID 1501874
3-Aminopyridine-4-carboxaldehyde
CID 2763001
4-Methylpyridine-2-carbaldehyde
CID 10011894
5-Methylpyridine-2-carbaldehyde
CID 10464339
2-Methylpyridine-3-carbaldehyde
CID 11083881

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-(trifluoromethyl)pyridine-2-carbaldehyde?
The IUPAC name of 3-amino-4-(trifluoromethyl)pyridine-2-carbaldehyde (CID 131117139) is 3-amino-4-(trifluoromethyl)pyridine-2-carbaldehyde.
What is the SMILES notation for 3-amino-4-(trifluoromethyl)pyridine-2-carbaldehyde?
The canonical SMILES for 3-amino-4-(trifluoromethyl)pyridine-2-carbaldehyde is Nc1c(C(F)(F)F)ccnc1C=O.
What is the InChIKey of 3-amino-4-(trifluoromethyl)pyridine-2-carbaldehyde?
The InChIKey is IGPSCQNHQVQRRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F3N2O/c8-7(9,10)4-1-2-12-5(3-13)6(4)11/h1-3H,11H2.
What are the key properties of 3-amino-4-(trifluoromethyl)pyridine-2-carbaldehyde?
3-amino-4-(trifluoromethyl)pyridine-2-carbaldehyde has a molecular weight of 190.12 g/mol, XLogP of 1.50, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-(trifluoromethyl)pyridine-2-carbaldehyde is sourced from PubChem (CID 131117139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).