3,5-dichloro-2-N-ethyl-6-N-(2,2,2-trifluoroethyl)pyridine-2,6-diamine

C9H10Cl2F3N3 — CID 102755654

IUPAC3,5-dichloro-2-N-ethyl-6-N-(2,2,2-trifluoroethyl)pyridine-2,6-diamine
SMILESCCNc1nc(NCC(F)(F)F)c(Cl)cc1Cl
InChIInChI=1S/C9H10Cl2F3N3/c1-2-15-7-5(10)3-6(11)8(17-7)16-4-9(12,13)14/h3H,2,4H2,1H3,(H2,15,16,17)
InChIKeyXYHBHCNHODYXDI-UHFFFAOYSA-N
MW288.10 g/mol
LogP3.79
Rot. Bonds4

About 3,5-dichloro-2-N-ethyl-6-N-(2,2,2-trifluoroethyl)pyridine-2,6-diamine

3,5-dichloro-2-N-ethyl-6-N-(2,2,2-trifluoroethyl)pyridine-2,6-diamine (PubChem CID 102755654) has the molecular formula C9H10Cl2F3N3 and a molecular weight of 288.10 g/mol. Its IUPAC name is 3,5-dichloro-2-N-ethyl-6-N-(2,2,2-trifluoroethyl)pyridine-2,6-diamine.

Molecular Properties

Compound Name3,5-dichloro-2-N-ethyl-6-N-(2,2,2-trifluoroethyl)pyridine-2,6-diamine
PubChem CID102755654
Molecular FormulaC9H10Cl2F3N3
Molecular Weight288.10 g/mol
Exact Mass287.02
IUPAC Name3,5-dichloro-2-N-ethyl-6-N-(2,2,2-trifluoroethyl)pyridine-2,6-diamine
SMILESCCNc1nc(NCC(F)(F)F)c(Cl)cc1Cl
InChIInChI=1S/C9H10Cl2F3N3/c1-2-15-7-5(10)3-6(11)8(17-7)16-4-9(12,13)14/h3H,2,4H2,1H3,(H2,15,16,17)
InChIKeyXYHBHCNHODYXDI-UHFFFAOYSA-N
XLogP3.79
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.10
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-2-N-ethyl-6-N-(2,2,2-trifluoroethyl)pyridine-2,6-diamine?
The IUPAC name of 3,5-dichloro-2-N-ethyl-6-N-(2,2,2-trifluoroethyl)pyridine-2,6-diamine (CID 102755654) is 3,5-dichloro-2-N-ethyl-6-N-(2,2,2-trifluoroethyl)pyridine-2,6-diamine.
What is the SMILES notation for 3,5-dichloro-2-N-ethyl-6-N-(2,2,2-trifluoroethyl)pyridine-2,6-diamine?
The canonical SMILES for 3,5-dichloro-2-N-ethyl-6-N-(2,2,2-trifluoroethyl)pyridine-2,6-diamine is CCNc1nc(NCC(F)(F)F)c(Cl)cc1Cl.
What is the InChIKey of 3,5-dichloro-2-N-ethyl-6-N-(2,2,2-trifluoroethyl)pyridine-2,6-diamine?
The InChIKey is XYHBHCNHODYXDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10Cl2F3N3/c1-2-15-7-5(10)3-6(11)8(17-7)16-4-9(12,13)14/h3H,2,4H2,1H3,(H2,15,16,17).
What are the key properties of 3,5-dichloro-2-N-ethyl-6-N-(2,2,2-trifluoroethyl)pyridine-2,6-diamine?
3,5-dichloro-2-N-ethyl-6-N-(2,2,2-trifluoroethyl)pyridine-2,6-diamine has a molecular weight of 288.10 g/mol, XLogP of 3.79, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-2-N-ethyl-6-N-(2,2,2-trifluoroethyl)pyridine-2,6-diamine is sourced from PubChem (CID 102755654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).