1-ethyl-3-N-methyl-6-(trifluoromethyl)-2H-pyridine-3,4-diamine

C9H14F3N3 — CID 174868865

IUPAC1-ethyl-3-N-methyl-6-(trifluoromethyl)-2H-pyridine-3,4-diamine
SMILESCCN1CC(NC)=C(N)C=C1C(F)(F)F
InChIInChI=1S/C9H14F3N3/c1-3-15-5-7(14-2)6(13)4-8(15)9(10,11)12/h4,14H,3,5,13H2,1-2H3
InChIKeyCUZVHVNKQXIUMD-UHFFFAOYSA-N
MW221.23 g/mol
LogP1.16
Rot. Bonds2

About 1-ethyl-3-N-methyl-6-(trifluoromethyl)-2H-pyridine-3,4-diamine

1-ethyl-3-N-methyl-6-(trifluoromethyl)-2H-pyridine-3,4-diamine (PubChem CID 174868865) has the molecular formula C9H14F3N3 and a molecular weight of 221.23 g/mol. Its IUPAC name is 1-ethyl-3-N-methyl-6-(trifluoromethyl)-2H-pyridine-3,4-diamine.

Molecular Properties

Compound Name1-ethyl-3-N-methyl-6-(trifluoromethyl)-2H-pyridine-3,4-diamine
PubChem CID174868865
Molecular FormulaC9H14F3N3
Molecular Weight221.23 g/mol
Exact Mass221.11
IUPAC Name1-ethyl-3-N-methyl-6-(trifluoromethyl)-2H-pyridine-3,4-diamine
SMILESCCN1CC(NC)=C(N)C=C1C(F)(F)F
InChIInChI=1S/C9H14F3N3/c1-3-15-5-7(14-2)6(13)4-8(15)9(10,11)12/h4,14H,3,5,13H2,1-2H3
InChIKeyCUZVHVNKQXIUMD-UHFFFAOYSA-N
XLogP1.16
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.23
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-N-methyl-6-(trifluoromethyl)-2H-pyridine-3,4-diamine?
The IUPAC name of 1-ethyl-3-N-methyl-6-(trifluoromethyl)-2H-pyridine-3,4-diamine (CID 174868865) is 1-ethyl-3-N-methyl-6-(trifluoromethyl)-2H-pyridine-3,4-diamine.
What is the SMILES notation for 1-ethyl-3-N-methyl-6-(trifluoromethyl)-2H-pyridine-3,4-diamine?
The canonical SMILES for 1-ethyl-3-N-methyl-6-(trifluoromethyl)-2H-pyridine-3,4-diamine is CCN1CC(NC)=C(N)C=C1C(F)(F)F.
What is the InChIKey of 1-ethyl-3-N-methyl-6-(trifluoromethyl)-2H-pyridine-3,4-diamine?
The InChIKey is CUZVHVNKQXIUMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3N3/c1-3-15-5-7(14-2)6(13)4-8(15)9(10,11)12/h4,14H,3,5,13H2,1-2H3.
What are the key properties of 1-ethyl-3-N-methyl-6-(trifluoromethyl)-2H-pyridine-3,4-diamine?
1-ethyl-3-N-methyl-6-(trifluoromethyl)-2H-pyridine-3,4-diamine has a molecular weight of 221.23 g/mol, XLogP of 1.16, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-N-methyl-6-(trifluoromethyl)-2H-pyridine-3,4-diamine is sourced from PubChem (CID 174868865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).