6-(3,4-dichlorophenyl)-N-methyl-4-(trifluoromethyl)pyridin-2-amine

C13H9Cl2F3N2 — CID 102716637

IUPAC6-(3,4-dichlorophenyl)-N-methyl-4-(trifluoromethyl)pyridin-2-amine
SMILESCNc1cc(C(F)(F)F)cc(-c2ccc(Cl)c(Cl)c2)n1
InChIInChI=1S/C13H9Cl2F3N2/c1-19-12-6-8(13(16,17)18)5-11(20-12)7-2-3-9(14)10(15)4-7/h2-6H,1H3,(H,19,20)
InChIKeyMYBCBFGOJGWAAX-UHFFFAOYSA-N
MW321.13 g/mol
LogP5.12
Rot. Bonds2

About 6-(3,4-dichlorophenyl)-N-methyl-4-(trifluoromethyl)pyridin-2-amine

6-(3,4-dichlorophenyl)-N-methyl-4-(trifluoromethyl)pyridin-2-amine (PubChem CID 102716637) has the molecular formula C13H9Cl2F3N2 and a molecular weight of 321.13 g/mol. Its IUPAC name is 6-(3,4-dichlorophenyl)-N-methyl-4-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name6-(3,4-dichlorophenyl)-N-methyl-4-(trifluoromethyl)pyridin-2-amine
PubChem CID102716637
Molecular FormulaC13H9Cl2F3N2
Molecular Weight321.13 g/mol
Exact Mass320.01
IUPAC Name6-(3,4-dichlorophenyl)-N-methyl-4-(trifluoromethyl)pyridin-2-amine
SMILESCNc1cc(C(F)(F)F)cc(-c2ccc(Cl)c(Cl)c2)n1
InChIInChI=1S/C13H9Cl2F3N2/c1-19-12-6-8(13(16,17)18)5-11(20-12)7-2-3-9(14)10(15)4-7/h2-6H,1H3,(H,19,20)
InChIKeyMYBCBFGOJGWAAX-UHFFFAOYSA-N
XLogP5.12
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.13
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(3,4-dichlorophenyl)-N-methyl-4-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 6-(3,4-dichlorophenyl)-N-methyl-4-(trifluoromethyl)pyridin-2-amine (CID 102716637) is 6-(3,4-dichlorophenyl)-N-methyl-4-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 6-(3,4-dichlorophenyl)-N-methyl-4-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 6-(3,4-dichlorophenyl)-N-methyl-4-(trifluoromethyl)pyridin-2-amine is CNc1cc(C(F)(F)F)cc(-c2ccc(Cl)c(Cl)c2)n1.
What is the InChIKey of 6-(3,4-dichlorophenyl)-N-methyl-4-(trifluoromethyl)pyridin-2-amine?
The InChIKey is MYBCBFGOJGWAAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2F3N2/c1-19-12-6-8(13(16,17)18)5-11(20-12)7-2-3-9(14)10(15)4-7/h2-6H,1H3,(H,19,20).
What are the key properties of 6-(3,4-dichlorophenyl)-N-methyl-4-(trifluoromethyl)pyridin-2-amine?
6-(3,4-dichlorophenyl)-N-methyl-4-(trifluoromethyl)pyridin-2-amine has a molecular weight of 321.13 g/mol, XLogP of 5.12, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-dichlorophenyl)-N-methyl-4-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 102716637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).