6-N-(2-fluorophenyl)-2-N,6-N-dimethyl-4-(trifluoromethyl)pyridine-2,6-diamine

C14H13F4N3 — CID 102718253

IUPAC6-N-(2-fluorophenyl)-2-N,6-N-dimethyl-4-(trifluoromethyl)pyridine-2,6-diamine
SMILESCNc1cc(C(F)(F)F)cc(N(C)c2ccccc2F)n1
InChIInChI=1S/C14H13F4N3/c1-19-12-7-9(14(16,17)18)8-13(20-12)21(2)11-6-4-3-5-10(11)15/h3-8H,1-2H3,(H,19,20)
InChIKeyFHNIZTMNABZPJX-UHFFFAOYSA-N
MW299.27 g/mol
LogP4.05
Rot. Bonds3

About 6-N-(2-fluorophenyl)-2-N,6-N-dimethyl-4-(trifluoromethyl)pyridine-2,6-diamine

6-N-(2-fluorophenyl)-2-N,6-N-dimethyl-4-(trifluoromethyl)pyridine-2,6-diamine (PubChem CID 102718253) has the molecular formula C14H13F4N3 and a molecular weight of 299.27 g/mol. Its IUPAC name is 6-N-(2-fluorophenyl)-2-N,6-N-dimethyl-4-(trifluoromethyl)pyridine-2,6-diamine.

Molecular Properties

Compound Name6-N-(2-fluorophenyl)-2-N,6-N-dimethyl-4-(trifluoromethyl)pyridine-2,6-diamine
PubChem CID102718253
Molecular FormulaC14H13F4N3
Molecular Weight299.27 g/mol
Exact Mass299.10
IUPAC Name6-N-(2-fluorophenyl)-2-N,6-N-dimethyl-4-(trifluoromethyl)pyridine-2,6-diamine
SMILESCNc1cc(C(F)(F)F)cc(N(C)c2ccccc2F)n1
InChIInChI=1S/C14H13F4N3/c1-19-12-7-9(14(16,17)18)8-13(20-12)21(2)11-6-4-3-5-10(11)15/h3-8H,1-2H3,(H,19,20)
InChIKeyFHNIZTMNABZPJX-UHFFFAOYSA-N
XLogP4.05
TPSA28.16 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 ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-N-(2-fluorophenyl)-4-N,6-N,2-trimethylpyrimidine-4,6-diamine
CID 80818514
2-N-methyl-6-N-(2-methylpropyl)-6-N-propan-2-yl-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102718063
6-N-cyclopentyl-2-N,6-N-dimethyl-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102717416
2-methyl-2-[methyl-[6-(methylamino)-4-(trifluoromethyl)-2-pyridinyl]amino]propan-1-ol
CID 102719263
2-N,6-N-dimethyl-6-N-(oxan-4-yl)-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102717637
6-N-(1-cyclopropylethyl)-2-N,6-N-dimethyl-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102717599
4-[methyl-[6-(methylamino)-4-(trifluoromethyl)-2-pyridinyl]amino]butan-2-ol
CID 102719371
2-N,6-N-dimethyl-6-N-[(2-methylfuran-3-yl)methyl]-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102717767
2-[ethyl-[6-(methylamino)-4-(trifluoromethyl)-2-pyridinyl]amino]-N,N-dimethylacetamide
CID 102717832
6-N-cyclopropyl-2-N-methyl-6-N-(2,2,2-trifluoroethyl)-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102718099
N-methyl-6-(2-methylphenoxy)-4-(trifluoromethyl)pyridin-2-amine
CID 102719830
6-N-[1-(dimethylamino)propan-2-yl]-2-N-methyl-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102719072

Frequently Asked Questions

What is the IUPAC name of 6-N-(2-fluorophenyl)-2-N,6-N-dimethyl-4-(trifluoromethyl)pyridine-2,6-diamine?
The IUPAC name of 6-N-(2-fluorophenyl)-2-N,6-N-dimethyl-4-(trifluoromethyl)pyridine-2,6-diamine (CID 102718253) is 6-N-(2-fluorophenyl)-2-N,6-N-dimethyl-4-(trifluoromethyl)pyridine-2,6-diamine.
What is the SMILES notation for 6-N-(2-fluorophenyl)-2-N,6-N-dimethyl-4-(trifluoromethyl)pyridine-2,6-diamine?
The canonical SMILES for 6-N-(2-fluorophenyl)-2-N,6-N-dimethyl-4-(trifluoromethyl)pyridine-2,6-diamine is CNc1cc(C(F)(F)F)cc(N(C)c2ccccc2F)n1.
What is the InChIKey of 6-N-(2-fluorophenyl)-2-N,6-N-dimethyl-4-(trifluoromethyl)pyridine-2,6-diamine?
The InChIKey is FHNIZTMNABZPJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F4N3/c1-19-12-7-9(14(16,17)18)8-13(20-12)21(2)11-6-4-3-5-10(11)15/h3-8H,1-2H3,(H,19,20).
What are the key properties of 6-N-(2-fluorophenyl)-2-N,6-N-dimethyl-4-(trifluoromethyl)pyridine-2,6-diamine?
6-N-(2-fluorophenyl)-2-N,6-N-dimethyl-4-(trifluoromethyl)pyridine-2,6-diamine has a molecular weight of 299.27 g/mol, XLogP of 4.05, 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)-2-N,6-N-dimethyl-4-(trifluoromethyl)pyridine-2,6-diamine is sourced from PubChem (CID 102718253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).