2-methyl-6-[[4-(trifluoromethyl)phenyl]methylamino]pyridine-3-carbaldehyde

C15H13F3N2O — CID 59593369

IUPAC2-methyl-6-[[4-(trifluoromethyl)phenyl]methylamino]pyridine-3-carbaldehyde
SMILESCc1nc(NCc2ccc(C(F)(F)F)cc2)ccc1C=O
InChIInChI=1S/C15H13F3N2O/c1-10-12(9-21)4-7-14(20-10)19-8-11-2-5-13(6-3-11)15(16,17)18/h2-7,9H,8H2,1H3,(H,19,20)
InChIKeyLRFMCZRTWMQNNQ-UHFFFAOYSA-N
MW294.28 g/mol
LogP3.83
Rot. Bonds4

About 2-methyl-6-[[4-(trifluoromethyl)phenyl]methylamino]pyridine-3-carbaldehyde

2-methyl-6-[[4-(trifluoromethyl)phenyl]methylamino]pyridine-3-carbaldehyde (PubChem CID 59593369) has the molecular formula C15H13F3N2O and a molecular weight of 294.28 g/mol. Its IUPAC name is 2-methyl-6-[[4-(trifluoromethyl)phenyl]methylamino]pyridine-3-carbaldehyde.

Molecular Properties

Compound Name2-methyl-6-[[4-(trifluoromethyl)phenyl]methylamino]pyridine-3-carbaldehyde
PubChem CID59593369
Molecular FormulaC15H13F3N2O
Molecular Weight294.28 g/mol
Exact Mass294.10
IUPAC Name2-methyl-6-[[4-(trifluoromethyl)phenyl]methylamino]pyridine-3-carbaldehyde
SMILESCc1nc(NCc2ccc(C(F)(F)F)cc2)ccc1C=O
InChIInChI=1S/C15H13F3N2O/c1-10-12(9-21)4-7-14(20-10)19-8-11-2-5-13(6-3-11)15(16,17)18/h2-7,9H,8H2,1H3,(H,19,20)
InChIKeyLRFMCZRTWMQNNQ-UHFFFAOYSA-N
XLogP3.83
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.28
LogP ≤ 53.83
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-methyl-6-[[4-(trifluoromethyl)phenyl]methylamino]pyridine-3-carbaldehyde?
The IUPAC name of 2-methyl-6-[[4-(trifluoromethyl)phenyl]methylamino]pyridine-3-carbaldehyde (CID 59593369) is 2-methyl-6-[[4-(trifluoromethyl)phenyl]methylamino]pyridine-3-carbaldehyde.
What is the SMILES notation for 2-methyl-6-[[4-(trifluoromethyl)phenyl]methylamino]pyridine-3-carbaldehyde?
The canonical SMILES for 2-methyl-6-[[4-(trifluoromethyl)phenyl]methylamino]pyridine-3-carbaldehyde is Cc1nc(NCc2ccc(C(F)(F)F)cc2)ccc1C=O.
What is the InChIKey of 2-methyl-6-[[4-(trifluoromethyl)phenyl]methylamino]pyridine-3-carbaldehyde?
The InChIKey is LRFMCZRTWMQNNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N2O/c1-10-12(9-21)4-7-14(20-10)19-8-11-2-5-13(6-3-11)15(16,17)18/h2-7,9H,8H2,1H3,(H,19,20).
What are the key properties of 2-methyl-6-[[4-(trifluoromethyl)phenyl]methylamino]pyridine-3-carbaldehyde?
2-methyl-6-[[4-(trifluoromethyl)phenyl]methylamino]pyridine-3-carbaldehyde has a molecular weight of 294.28 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[[4-(trifluoromethyl)phenyl]methylamino]pyridine-3-carbaldehyde is sourced from PubChem (CID 59593369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).