6-N-[(2-fluorophenyl)methyl]-6-N-methyl-4-(trifluoromethyl)pyridine-2,6-diamine

C14H13F4N3 — CID 102717744

IUPAC6-N-[(2-fluorophenyl)methyl]-6-N-methyl-4-(trifluoromethyl)pyridine-2,6-diamine
SMILESCN(Cc1ccccc1F)c1cc(C(F)(F)F)cc(N)n1
InChIInChI=1S/C14H13F4N3/c1-21(8-9-4-2-3-5-11(9)15)13-7-10(14(16,17)18)6-12(19)20-13/h2-7H,8H2,1H3,(H2,19,20)
InChIKeyKJDBVIRDAOXUOD-UHFFFAOYSA-N
MW299.27 g/mol
LogP3.46
Rot. Bonds3

About 6-N-[(2-fluorophenyl)methyl]-6-N-methyl-4-(trifluoromethyl)pyridine-2,6-diamine

6-N-[(2-fluorophenyl)methyl]-6-N-methyl-4-(trifluoromethyl)pyridine-2,6-diamine (PubChem CID 102717744) has the molecular formula C14H13F4N3 and a molecular weight of 299.27 g/mol. Its IUPAC name is 6-N-[(2-fluorophenyl)methyl]-6-N-methyl-4-(trifluoromethyl)pyridine-2,6-diamine.

Molecular Properties

Compound Name6-N-[(2-fluorophenyl)methyl]-6-N-methyl-4-(trifluoromethyl)pyridine-2,6-diamine
PubChem CID102717744
Molecular FormulaC14H13F4N3
Molecular Weight299.27 g/mol
Exact Mass299.10
IUPAC Name6-N-[(2-fluorophenyl)methyl]-6-N-methyl-4-(trifluoromethyl)pyridine-2,6-diamine
SMILESCN(Cc1ccccc1F)c1cc(C(F)(F)F)cc(N)n1
InChIInChI=1S/C14H13F4N3/c1-21(8-9-4-2-3-5-11(9)15)13-7-10(14(16,17)18)6-12(19)20-13/h2-7H,8H2,1H3,(H2,19,20)
InChIKeyKJDBVIRDAOXUOD-UHFFFAOYSA-N
XLogP3.46
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.27
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-N-[(2-fluorophenyl)methyl]-6-N-methyl-4-(trifluoromethyl)pyridine-2,6-diamine?
The IUPAC name of 6-N-[(2-fluorophenyl)methyl]-6-N-methyl-4-(trifluoromethyl)pyridine-2,6-diamine (CID 102717744) is 6-N-[(2-fluorophenyl)methyl]-6-N-methyl-4-(trifluoromethyl)pyridine-2,6-diamine.
What is the SMILES notation for 6-N-[(2-fluorophenyl)methyl]-6-N-methyl-4-(trifluoromethyl)pyridine-2,6-diamine?
The canonical SMILES for 6-N-[(2-fluorophenyl)methyl]-6-N-methyl-4-(trifluoromethyl)pyridine-2,6-diamine is CN(Cc1ccccc1F)c1cc(C(F)(F)F)cc(N)n1.
What is the InChIKey of 6-N-[(2-fluorophenyl)methyl]-6-N-methyl-4-(trifluoromethyl)pyridine-2,6-diamine?
The InChIKey is KJDBVIRDAOXUOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F4N3/c1-21(8-9-4-2-3-5-11(9)15)13-7-10(14(16,17)18)6-12(19)20-13/h2-7H,8H2,1H3,(H2,19,20).
What are the key properties of 6-N-[(2-fluorophenyl)methyl]-6-N-methyl-4-(trifluoromethyl)pyridine-2,6-diamine?
6-N-[(2-fluorophenyl)methyl]-6-N-methyl-4-(trifluoromethyl)pyridine-2,6-diamine has a molecular weight of 299.27 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[(2-fluorophenyl)methyl]-6-N-methyl-4-(trifluoromethyl)pyridine-2,6-diamine is sourced from PubChem (CID 102717744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).