3,5,6-trifluoro-N-(2-methoxyphenyl)-N-methylpyridin-2-amine

C13H11F3N2O — CID 114072513

IUPAC3,5,6-trifluoro-N-(2-methoxyphenyl)-N-methylpyridin-2-amine
SMILESCOc1ccccc1N(C)c1nc(F)c(F)cc1F
InChIInChI=1S/C13H11F3N2O/c1-18(10-5-3-4-6-11(10)19-2)13-9(15)7-8(14)12(16)17-13/h3-7H,1-2H3
InChIKeyVXVVKNPORJQICL-UHFFFAOYSA-N
MW268.24 g/mol
LogP3.28
Rot. Bonds3

About 3,5,6-trifluoro-N-(2-methoxyphenyl)-N-methylpyridin-2-amine

3,5,6-trifluoro-N-(2-methoxyphenyl)-N-methylpyridin-2-amine (PubChem CID 114072513) has the molecular formula C13H11F3N2O and a molecular weight of 268.24 g/mol. Its IUPAC name is 3,5,6-trifluoro-N-(2-methoxyphenyl)-N-methylpyridin-2-amine.

Molecular Properties

Compound Name3,5,6-trifluoro-N-(2-methoxyphenyl)-N-methylpyridin-2-amine
PubChem CID114072513
Molecular FormulaC13H11F3N2O
Molecular Weight268.24 g/mol
Exact Mass268.08
IUPAC Name3,5,6-trifluoro-N-(2-methoxyphenyl)-N-methylpyridin-2-amine
SMILESCOc1ccccc1N(C)c1nc(F)c(F)cc1F
InChIInChI=1S/C13H11F3N2O/c1-18(10-5-3-4-6-11(10)19-2)13-9(15)7-8(14)12(16)17-13/h3-7H,1-2H3
InChIKeyVXVVKNPORJQICL-UHFFFAOYSA-N
XLogP3.28
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.24
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,5,6-trifluoro-N-(2-methoxyphenyl)-N-methylpyridin-2-amine?
The IUPAC name of 3,5,6-trifluoro-N-(2-methoxyphenyl)-N-methylpyridin-2-amine (CID 114072513) is 3,5,6-trifluoro-N-(2-methoxyphenyl)-N-methylpyridin-2-amine.
What is the SMILES notation for 3,5,6-trifluoro-N-(2-methoxyphenyl)-N-methylpyridin-2-amine?
The canonical SMILES for 3,5,6-trifluoro-N-(2-methoxyphenyl)-N-methylpyridin-2-amine is COc1ccccc1N(C)c1nc(F)c(F)cc1F.
What is the InChIKey of 3,5,6-trifluoro-N-(2-methoxyphenyl)-N-methylpyridin-2-amine?
The InChIKey is VXVVKNPORJQICL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3N2O/c1-18(10-5-3-4-6-11(10)19-2)13-9(15)7-8(14)12(16)17-13/h3-7H,1-2H3.
What are the key properties of 3,5,6-trifluoro-N-(2-methoxyphenyl)-N-methylpyridin-2-amine?
3,5,6-trifluoro-N-(2-methoxyphenyl)-N-methylpyridin-2-amine has a molecular weight of 268.24 g/mol, XLogP of 3.28, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5,6-trifluoro-N-(2-methoxyphenyl)-N-methylpyridin-2-amine is sourced from PubChem (CID 114072513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).