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

C7H6ClF3N2O — CID 146174185

IUPAC5-amino-3-(trifluoromethyl)pyridine-2-carbaldehyde;hydrochloride
SMILESCl.Nc1cnc(C=O)c(C(F)(F)F)c1
InChIInChI=1S/C7H5F3N2O.ClH/c8-7(9,10)5-1-4(11)2-12-6(5)3-13;/h1-3H,11H2;1H
InChIKeyGSZHAKNMEPJZCU-UHFFFAOYSA-N
MW226.59 g/mol
LogP1.92
Rot. Bonds1

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

5-amino-3-(trifluoromethyl)pyridine-2-carbaldehyde;hydrochloride (PubChem CID 146174185) has the molecular formula C7H6ClF3N2O and a molecular weight of 226.59 g/mol. Its IUPAC name is 5-amino-3-(trifluoromethyl)pyridine-2-carbaldehyde;hydrochloride.

Molecular Properties

Compound Name5-amino-3-(trifluoromethyl)pyridine-2-carbaldehyde;hydrochloride
PubChem CID146174185
Molecular FormulaC7H6ClF3N2O
Molecular Weight226.59 g/mol
Exact Mass226.01
IUPAC Name5-amino-3-(trifluoromethyl)pyridine-2-carbaldehyde;hydrochloride
SMILESCl.Nc1cnc(C=O)c(C(F)(F)F)c1
InChIInChI=1S/C7H5F3N2O.ClH/c8-7(9,10)5-1-4(11)2-12-6(5)3-13;/h1-3H,11H2;1H
InChIKeyGSZHAKNMEPJZCU-UHFFFAOYSA-N
XLogP1.92
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.59
LogP ≤ 51.92
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-amino-3-(trifluoromethyl)pyridine-2-carbaldehyde;hydrochloride?
The IUPAC name of 5-amino-3-(trifluoromethyl)pyridine-2-carbaldehyde;hydrochloride (CID 146174185) is 5-amino-3-(trifluoromethyl)pyridine-2-carbaldehyde;hydrochloride.
What is the SMILES notation for 5-amino-3-(trifluoromethyl)pyridine-2-carbaldehyde;hydrochloride?
The canonical SMILES for 5-amino-3-(trifluoromethyl)pyridine-2-carbaldehyde;hydrochloride is Cl.Nc1cnc(C=O)c(C(F)(F)F)c1.
What is the InChIKey of 5-amino-3-(trifluoromethyl)pyridine-2-carbaldehyde;hydrochloride?
The InChIKey is GSZHAKNMEPJZCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F3N2O.ClH/c8-7(9,10)5-1-4(11)2-12-6(5)3-13;/h1-3H,11H2;1H.
What are the key properties of 5-amino-3-(trifluoromethyl)pyridine-2-carbaldehyde;hydrochloride?
5-amino-3-(trifluoromethyl)pyridine-2-carbaldehyde;hydrochloride has a molecular weight of 226.59 g/mol, XLogP of 1.92, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-(trifluoromethyl)pyridine-2-carbaldehyde;hydrochloride is sourced from PubChem (CID 146174185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).