2-amino-5-(trifluoromethyl)pyridine-3-carbaldehyde

C7H5F3N2O — CID 50989693

IUPAC2-amino-5-(trifluoromethyl)pyridine-3-carbaldehyde
SMILESNc1ncc(C(F)(F)F)cc1C=O
InChIInChI=1S/C7H5F3N2O/c8-7(9,10)5-1-4(3-13)6(11)12-2-5/h1-3H,(H2,11,12)
InChIKeyNIQLESVRCYJLFZ-UHFFFAOYSA-N
MW190.12 g/mol
LogP1.50
Rot. Bonds1

About 2-amino-5-(trifluoromethyl)pyridine-3-carbaldehyde

2-amino-5-(trifluoromethyl)pyridine-3-carbaldehyde (PubChem CID 50989693) has the molecular formula C7H5F3N2O and a molecular weight of 190.12 g/mol. Its IUPAC name is 2-amino-5-(trifluoromethyl)pyridine-3-carbaldehyde.

Molecular Properties

Compound Name2-amino-5-(trifluoromethyl)pyridine-3-carbaldehyde
PubChem CID50989693
Molecular FormulaC7H5F3N2O
Molecular Weight190.12 g/mol
Exact Mass190.04
IUPAC Name2-amino-5-(trifluoromethyl)pyridine-3-carbaldehyde
SMILESNc1ncc(C(F)(F)F)cc1C=O
InChIInChI=1S/C7H5F3N2O/c8-7(9,10)5-1-4(3-13)6(11)12-2-5/h1-3H,(H2,11,12)
InChIKeyNIQLESVRCYJLFZ-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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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(trifluoromethyl)pyridine-3-carbaldehyde?
The IUPAC name of 2-amino-5-(trifluoromethyl)pyridine-3-carbaldehyde (CID 50989693) is 2-amino-5-(trifluoromethyl)pyridine-3-carbaldehyde.
What is the SMILES notation for 2-amino-5-(trifluoromethyl)pyridine-3-carbaldehyde?
The canonical SMILES for 2-amino-5-(trifluoromethyl)pyridine-3-carbaldehyde is Nc1ncc(C(F)(F)F)cc1C=O.
What is the InChIKey of 2-amino-5-(trifluoromethyl)pyridine-3-carbaldehyde?
The InChIKey is NIQLESVRCYJLFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F3N2O/c8-7(9,10)5-1-4(3-13)6(11)12-2-5/h1-3H,(H2,11,12).
What are the key properties of 2-amino-5-(trifluoromethyl)pyridine-3-carbaldehyde?
2-amino-5-(trifluoromethyl)pyridine-3-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 2-amino-5-(trifluoromethyl)pyridine-3-carbaldehyde is sourced from PubChem (CID 50989693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).