6-methyl-2-[(2,3,5-trifluoroanilino)methyl]pyridin-3-ol

C13H11F3N2O — CID 79151306

IUPAC6-methyl-2-[(2,3,5-trifluoroanilino)methyl]pyridin-3-ol
SMILESCc1ccc(O)c(CNc2cc(F)cc(F)c2F)n1
InChIInChI=1S/C13H11F3N2O/c1-7-2-3-12(19)11(18-7)6-17-10-5-8(14)4-9(15)13(10)16/h2-5,17,19H,6H2,1H3
InChIKeyVSIMJPZNXXRRFA-UHFFFAOYSA-N
MW268.24 g/mol
LogP3.13
Rot. Bonds3

About 6-methyl-2-[(2,3,5-trifluoroanilino)methyl]pyridin-3-ol

6-methyl-2-[(2,3,5-trifluoroanilino)methyl]pyridin-3-ol (PubChem CID 79151306) has the molecular formula C13H11F3N2O and a molecular weight of 268.24 g/mol. Its IUPAC name is 6-methyl-2-[(2,3,5-trifluoroanilino)methyl]pyridin-3-ol.

Molecular Properties

Compound Name6-methyl-2-[(2,3,5-trifluoroanilino)methyl]pyridin-3-ol
PubChem CID79151306
Molecular FormulaC13H11F3N2O
Molecular Weight268.24 g/mol
Exact Mass268.08
IUPAC Name6-methyl-2-[(2,3,5-trifluoroanilino)methyl]pyridin-3-ol
SMILESCc1ccc(O)c(CNc2cc(F)cc(F)c2F)n1
InChIInChI=1S/C13H11F3N2O/c1-7-2-3-12(19)11(18-7)6-17-10-5-8(14)4-9(15)13(10)16/h2-5,17,19H,6H2,1H3
InChIKeyVSIMJPZNXXRRFA-UHFFFAOYSA-N
XLogP3.13
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.24
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze 6-methyl-2-[(2,3,5-trifluoroanilino)methyl]pyridin-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-[(2,3,5-trifluoroanilino)methyl]pyridin-3-ol?
The IUPAC name of 6-methyl-2-[(2,3,5-trifluoroanilino)methyl]pyridin-3-ol (CID 79151306) is 6-methyl-2-[(2,3,5-trifluoroanilino)methyl]pyridin-3-ol.
What is the SMILES notation for 6-methyl-2-[(2,3,5-trifluoroanilino)methyl]pyridin-3-ol?
The canonical SMILES for 6-methyl-2-[(2,3,5-trifluoroanilino)methyl]pyridin-3-ol is Cc1ccc(O)c(CNc2cc(F)cc(F)c2F)n1.
What is the InChIKey of 6-methyl-2-[(2,3,5-trifluoroanilino)methyl]pyridin-3-ol?
The InChIKey is VSIMJPZNXXRRFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3N2O/c1-7-2-3-12(19)11(18-7)6-17-10-5-8(14)4-9(15)13(10)16/h2-5,17,19H,6H2,1H3.
What are the key properties of 6-methyl-2-[(2,3,5-trifluoroanilino)methyl]pyridin-3-ol?
6-methyl-2-[(2,3,5-trifluoroanilino)methyl]pyridin-3-ol has a molecular weight of 268.24 g/mol, XLogP of 3.13, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-[(2,3,5-trifluoroanilino)methyl]pyridin-3-ol is sourced from PubChem (CID 79151306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).