2-amino-4-methyl-6-(trifluoromethyl)pyridine-3-carbaldehyde

C8H7F3N2O — CID 130154054

IUPAC2-amino-4-methyl-6-(trifluoromethyl)pyridine-3-carbaldehyde
SMILESCc1cc(C(F)(F)F)nc(N)c1C=O
InChIInChI=1S/C8H7F3N2O/c1-4-2-6(8(9,10)11)13-7(12)5(4)3-14/h2-3H,1H3,(H2,12,13)
InChIKeyDLHKEFGOOZZFOS-UHFFFAOYSA-N
MW204.15 g/mol
LogP1.80
Rot. Bonds1

About 2-amino-4-methyl-6-(trifluoromethyl)pyridine-3-carbaldehyde

2-amino-4-methyl-6-(trifluoromethyl)pyridine-3-carbaldehyde (PubChem CID 130154054) has the molecular formula C8H7F3N2O and a molecular weight of 204.15 g/mol. Its IUPAC name is 2-amino-4-methyl-6-(trifluoromethyl)pyridine-3-carbaldehyde.

Molecular Properties

Compound Name2-amino-4-methyl-6-(trifluoromethyl)pyridine-3-carbaldehyde
PubChem CID130154054
Molecular FormulaC8H7F3N2O
Molecular Weight204.15 g/mol
Exact Mass204.05
IUPAC Name2-amino-4-methyl-6-(trifluoromethyl)pyridine-3-carbaldehyde
SMILESCc1cc(C(F)(F)F)nc(N)c1C=O
InChIInChI=1S/C8H7F3N2O/c1-4-2-6(8(9,10)11)13-7(12)5(4)3-14/h2-3H,1H3,(H2,12,13)
InChIKeyDLHKEFGOOZZFOS-UHFFFAOYSA-N
XLogP1.80
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.15
LogP ≤ 51.80
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-4-methyl-6-(trifluoromethyl)pyridine-3-carbaldehyde?
The IUPAC name of 2-amino-4-methyl-6-(trifluoromethyl)pyridine-3-carbaldehyde (CID 130154054) is 2-amino-4-methyl-6-(trifluoromethyl)pyridine-3-carbaldehyde.
What is the SMILES notation for 2-amino-4-methyl-6-(trifluoromethyl)pyridine-3-carbaldehyde?
The canonical SMILES for 2-amino-4-methyl-6-(trifluoromethyl)pyridine-3-carbaldehyde is Cc1cc(C(F)(F)F)nc(N)c1C=O.
What is the InChIKey of 2-amino-4-methyl-6-(trifluoromethyl)pyridine-3-carbaldehyde?
The InChIKey is DLHKEFGOOZZFOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3N2O/c1-4-2-6(8(9,10)11)13-7(12)5(4)3-14/h2-3H,1H3,(H2,12,13).
What are the key properties of 2-amino-4-methyl-6-(trifluoromethyl)pyridine-3-carbaldehyde?
2-amino-4-methyl-6-(trifluoromethyl)pyridine-3-carbaldehyde has a molecular weight of 204.15 g/mol, XLogP of 1.80, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-methyl-6-(trifluoromethyl)pyridine-3-carbaldehyde is sourced from PubChem (CID 130154054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).