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

C8H8Cl2F3N3 — CID 102755653

IUPAC3,5-dichloro-2-N-methyl-6-N-(2,2,2-trifluoroethyl)pyridine-2,6-diamine
SMILESCNc1nc(NCC(F)(F)F)c(Cl)cc1Cl
InChIInChI=1S/C8H8Cl2F3N3/c1-14-6-4(9)2-5(10)7(16-6)15-3-8(11,12)13/h2H,3H2,1H3,(H2,14,15,16)
InChIKeyOFMWNSCYNPQUBK-UHFFFAOYSA-N
MW274.07 g/mol
LogP3.40
Rot. Bonds3

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

3,5-dichloro-2-N-methyl-6-N-(2,2,2-trifluoroethyl)pyridine-2,6-diamine (PubChem CID 102755653) has the molecular formula C8H8Cl2F3N3 and a molecular weight of 274.07 g/mol. Its IUPAC name is 3,5-dichloro-2-N-methyl-6-N-(2,2,2-trifluoroethyl)pyridine-2,6-diamine.

Molecular Properties

Compound Name3,5-dichloro-2-N-methyl-6-N-(2,2,2-trifluoroethyl)pyridine-2,6-diamine
PubChem CID102755653
Molecular FormulaC8H8Cl2F3N3
Molecular Weight274.07 g/mol
Exact Mass273.00
IUPAC Name3,5-dichloro-2-N-methyl-6-N-(2,2,2-trifluoroethyl)pyridine-2,6-diamine
SMILESCNc1nc(NCC(F)(F)F)c(Cl)cc1Cl
InChIInChI=1S/C8H8Cl2F3N3/c1-14-6-4(9)2-5(10)7(16-6)15-3-8(11,12)13/h2H,3H2,1H3,(H2,14,15,16)
InChIKeyOFMWNSCYNPQUBK-UHFFFAOYSA-N
XLogP3.40
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.07
LogP ≤ 53.40
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-methyl-6-N-(2,2,2-trifluoroethyl)pyridine-2,6-diamine?
The IUPAC name of 3,5-dichloro-2-N-methyl-6-N-(2,2,2-trifluoroethyl)pyridine-2,6-diamine (CID 102755653) is 3,5-dichloro-2-N-methyl-6-N-(2,2,2-trifluoroethyl)pyridine-2,6-diamine.
What is the SMILES notation for 3,5-dichloro-2-N-methyl-6-N-(2,2,2-trifluoroethyl)pyridine-2,6-diamine?
The canonical SMILES for 3,5-dichloro-2-N-methyl-6-N-(2,2,2-trifluoroethyl)pyridine-2,6-diamine is CNc1nc(NCC(F)(F)F)c(Cl)cc1Cl.
What is the InChIKey of 3,5-dichloro-2-N-methyl-6-N-(2,2,2-trifluoroethyl)pyridine-2,6-diamine?
The InChIKey is OFMWNSCYNPQUBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8Cl2F3N3/c1-14-6-4(9)2-5(10)7(16-6)15-3-8(11,12)13/h2H,3H2,1H3,(H2,14,15,16).
What are the key properties of 3,5-dichloro-2-N-methyl-6-N-(2,2,2-trifluoroethyl)pyridine-2,6-diamine?
3,5-dichloro-2-N-methyl-6-N-(2,2,2-trifluoroethyl)pyridine-2,6-diamine has a molecular weight of 274.07 g/mol, XLogP of 3.40, 3 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-methyl-6-N-(2,2,2-trifluoroethyl)pyridine-2,6-diamine is sourced from PubChem (CID 102755653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).