3,5-dichloro-2-N-methyl-6-N-(2,4,6-trifluorophenyl)pyridine-2,6-diamine

C12H8Cl2F3N3 — CID 102758802

IUPAC3,5-dichloro-2-N-methyl-6-N-(2,4,6-trifluorophenyl)pyridine-2,6-diamine
SMILESCNc1nc(Nc2c(F)cc(F)cc2F)c(Cl)cc1Cl
InChIInChI=1S/C12H8Cl2F3N3/c1-18-11-6(13)4-7(14)12(20-11)19-10-8(16)2-5(15)3-9(10)17/h2-4H,1H3,(H2,18,19,20)
InChIKeyGJOAZQCACPWJBT-UHFFFAOYSA-N
MW322.12 g/mol
LogP4.59
Rot. Bonds3

About 3,5-dichloro-2-N-methyl-6-N-(2,4,6-trifluorophenyl)pyridine-2,6-diamine

3,5-dichloro-2-N-methyl-6-N-(2,4,6-trifluorophenyl)pyridine-2,6-diamine (PubChem CID 102758802) has the molecular formula C12H8Cl2F3N3 and a molecular weight of 322.12 g/mol. Its IUPAC name is 3,5-dichloro-2-N-methyl-6-N-(2,4,6-trifluorophenyl)pyridine-2,6-diamine.

Molecular Properties

Compound Name3,5-dichloro-2-N-methyl-6-N-(2,4,6-trifluorophenyl)pyridine-2,6-diamine
PubChem CID102758802
Molecular FormulaC12H8Cl2F3N3
Molecular Weight322.12 g/mol
Exact Mass321.00
IUPAC Name3,5-dichloro-2-N-methyl-6-N-(2,4,6-trifluorophenyl)pyridine-2,6-diamine
SMILESCNc1nc(Nc2c(F)cc(F)cc2F)c(Cl)cc1Cl
InChIInChI=1S/C12H8Cl2F3N3/c1-18-11-6(13)4-7(14)12(20-11)19-10-8(16)2-5(15)3-9(10)17/h2-4H,1H3,(H2,18,19,20)
InChIKeyGJOAZQCACPWJBT-UHFFFAOYSA-N
XLogP4.59
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.12
LogP ≤ 54.59
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-(2,4,6-trifluorophenyl)pyridine-2,6-diamine?
The IUPAC name of 3,5-dichloro-2-N-methyl-6-N-(2,4,6-trifluorophenyl)pyridine-2,6-diamine (CID 102758802) is 3,5-dichloro-2-N-methyl-6-N-(2,4,6-trifluorophenyl)pyridine-2,6-diamine.
What is the SMILES notation for 3,5-dichloro-2-N-methyl-6-N-(2,4,6-trifluorophenyl)pyridine-2,6-diamine?
The canonical SMILES for 3,5-dichloro-2-N-methyl-6-N-(2,4,6-trifluorophenyl)pyridine-2,6-diamine is CNc1nc(Nc2c(F)cc(F)cc2F)c(Cl)cc1Cl.
What is the InChIKey of 3,5-dichloro-2-N-methyl-6-N-(2,4,6-trifluorophenyl)pyridine-2,6-diamine?
The InChIKey is GJOAZQCACPWJBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Cl2F3N3/c1-18-11-6(13)4-7(14)12(20-11)19-10-8(16)2-5(15)3-9(10)17/h2-4H,1H3,(H2,18,19,20).
What are the key properties of 3,5-dichloro-2-N-methyl-6-N-(2,4,6-trifluorophenyl)pyridine-2,6-diamine?
3,5-dichloro-2-N-methyl-6-N-(2,4,6-trifluorophenyl)pyridine-2,6-diamine has a molecular weight of 322.12 g/mol, XLogP of 4.59, 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-(2,4,6-trifluorophenyl)pyridine-2,6-diamine is sourced from PubChem (CID 102758802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).