6-N-(2-chloro-4-fluorophenyl)-2-N-methyl-4-(trifluoromethyl)pyridine-2,6-diamine

C13H10ClF4N3 — CID 102716940

IUPAC6-N-(2-chloro-4-fluorophenyl)-2-N-methyl-4-(trifluoromethyl)pyridine-2,6-diamine
SMILESCNc1cc(C(F)(F)F)cc(Nc2ccc(F)cc2Cl)n1
InChIInChI=1S/C13H10ClF4N3/c1-19-11-4-7(13(16,17)18)5-12(21-11)20-10-3-2-8(15)6-9(10)14/h2-6H,1H3,(H2,19,20,21)
InChIKeyIKUOEQOEBNECLZ-UHFFFAOYSA-N
MW319.69 g/mol
LogP4.68
Rot. Bonds3

About 6-N-(2-chloro-4-fluorophenyl)-2-N-methyl-4-(trifluoromethyl)pyridine-2,6-diamine

6-N-(2-chloro-4-fluorophenyl)-2-N-methyl-4-(trifluoromethyl)pyridine-2,6-diamine (PubChem CID 102716940) has the molecular formula C13H10ClF4N3 and a molecular weight of 319.69 g/mol. Its IUPAC name is 6-N-(2-chloro-4-fluorophenyl)-2-N-methyl-4-(trifluoromethyl)pyridine-2,6-diamine.

Molecular Properties

Compound Name6-N-(2-chloro-4-fluorophenyl)-2-N-methyl-4-(trifluoromethyl)pyridine-2,6-diamine
PubChem CID102716940
Molecular FormulaC13H10ClF4N3
Molecular Weight319.69 g/mol
Exact Mass319.05
IUPAC Name6-N-(2-chloro-4-fluorophenyl)-2-N-methyl-4-(trifluoromethyl)pyridine-2,6-diamine
SMILESCNc1cc(C(F)(F)F)cc(Nc2ccc(F)cc2Cl)n1
InChIInChI=1S/C13H10ClF4N3/c1-19-11-4-7(13(16,17)18)5-12(21-11)20-10-3-2-8(15)6-9(10)14/h2-6H,1H3,(H2,19,20,21)
InChIKeyIKUOEQOEBNECLZ-UHFFFAOYSA-N
XLogP4.68
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.69
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-N-[2-chloro-4-(trifluoromethyl)phenyl]-6-N-methylpyrimidine-2,4,6-triamine
CID 80817280
2-N-[2-chloro-4-(trifluoromethyl)phenyl]-6-N-methylpyrazine-2,6-diamine
CID 80833737
N-(2,4-difluorophenyl)-6-hydrazinyl-4-(trifluoromethyl)pyridin-2-amine
CID 102720931
6-N-(4-bromo-3-chlorophenyl)-2-N-methyl-4-(trifluoromethyl)pyridine-2,6-diamine
CID 107617824
2-chloro-N-(2-chloro-4-fluorophenyl)-6-methylpyrimidin-4-amine
CID 62477629
2-tert-butyl-6-chloro-N-(2-chloro-4-fluorophenyl)pyrimidin-4-amine
CID 80948283
N-(2-bromo-5-fluorophenyl)-6-chloro-4-(trifluoromethyl)pyridin-2-amine
CID 107637179
2-chloro-4-fluoro-N-methylaniline
CID 21161232
6-(2,5-difluorophenyl)-N-methyl-4-(trifluoromethyl)pyridin-2-amine
CID 102716671
4-N-(2-chloro-5-fluorophenyl)-2-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 107531763
N-(4-chloro-2-fluorophenyl)-6-hydrazinyl-4-(trifluoromethyl)pyridin-2-amine
CID 102720564
N-(2-chloro-4-fluorophenyl)-6-fluoropyridin-2-amine
CID 61228585

Frequently Asked Questions

What is the IUPAC name of 6-N-(2-chloro-4-fluorophenyl)-2-N-methyl-4-(trifluoromethyl)pyridine-2,6-diamine?
The IUPAC name of 6-N-(2-chloro-4-fluorophenyl)-2-N-methyl-4-(trifluoromethyl)pyridine-2,6-diamine (CID 102716940) is 6-N-(2-chloro-4-fluorophenyl)-2-N-methyl-4-(trifluoromethyl)pyridine-2,6-diamine.
What is the SMILES notation for 6-N-(2-chloro-4-fluorophenyl)-2-N-methyl-4-(trifluoromethyl)pyridine-2,6-diamine?
The canonical SMILES for 6-N-(2-chloro-4-fluorophenyl)-2-N-methyl-4-(trifluoromethyl)pyridine-2,6-diamine is CNc1cc(C(F)(F)F)cc(Nc2ccc(F)cc2Cl)n1.
What is the InChIKey of 6-N-(2-chloro-4-fluorophenyl)-2-N-methyl-4-(trifluoromethyl)pyridine-2,6-diamine?
The InChIKey is IKUOEQOEBNECLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClF4N3/c1-19-11-4-7(13(16,17)18)5-12(21-11)20-10-3-2-8(15)6-9(10)14/h2-6H,1H3,(H2,19,20,21).
What are the key properties of 6-N-(2-chloro-4-fluorophenyl)-2-N-methyl-4-(trifluoromethyl)pyridine-2,6-diamine?
6-N-(2-chloro-4-fluorophenyl)-2-N-methyl-4-(trifluoromethyl)pyridine-2,6-diamine has a molecular weight of 319.69 g/mol, XLogP of 4.68, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(2-chloro-4-fluorophenyl)-2-N-methyl-4-(trifluoromethyl)pyridine-2,6-diamine is sourced from PubChem (CID 102716940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).