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

C13H9Cl2F3N2 — CID 19814841

IUPACN-(2,6-dichlorophenyl)-6-methyl-4-(trifluoromethyl)pyridin-2-amine
SMILESCc1cc(C(F)(F)F)cc(Nc2c(Cl)cccc2Cl)n1
InChIInChI=1S/C13H9Cl2F3N2/c1-7-5-8(13(16,17)18)6-11(19-7)20-12-9(14)3-2-4-10(12)15/h2-6H,1H3,(H,19,20)
InChIKeyISPNGTIXUQULQV-UHFFFAOYSA-N
MW321.13 g/mol
LogP5.46
Rot. Bonds2

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

N-(2,6-dichlorophenyl)-6-methyl-4-(trifluoromethyl)pyridin-2-amine (PubChem CID 19814841) has the molecular formula C13H9Cl2F3N2 and a molecular weight of 321.13 g/mol. Its IUPAC name is N-(2,6-dichlorophenyl)-6-methyl-4-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-(2,6-dichlorophenyl)-6-methyl-4-(trifluoromethyl)pyridin-2-amine
PubChem CID19814841
Molecular FormulaC13H9Cl2F3N2
Molecular Weight321.13 g/mol
Exact Mass320.01
IUPAC NameN-(2,6-dichlorophenyl)-6-methyl-4-(trifluoromethyl)pyridin-2-amine
SMILESCc1cc(C(F)(F)F)cc(Nc2c(Cl)cccc2Cl)n1
InChIInChI=1S/C13H9Cl2F3N2/c1-7-5-8(13(16,17)18)6-11(19-7)20-12-9(14)3-2-4-10(12)15/h2-6H,1H3,(H,19,20)
InChIKeyISPNGTIXUQULQV-UHFFFAOYSA-N
XLogP5.46
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 ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Mat2A-IN-9
CID 153608878
1-(2-chlorophenyl)-4-(methylamino)-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-2(1H)-one
CID 147416416
N-(2,3-dichlorophenyl)-N'-(4,6-dimethyl-2-pyridinyl)thiourea
CID 970728
1-(2-chloro-6-fluorophenyl)-4-(methylamino)-7-(trifluoromethyl)pyrido[2,3-d]-pyrimidin-2(1H)-one
CID 147808625
1-(2-chlorophenyl)-4-[(methylethyl)-amino]-7-(trifluoromethyl)pyrido[2,3-d]-pyrimidin-2(1H)-one
CID 153608484
4-[(tert-butyl)amino]-1-(2-chloro-phenyl)-7-(trifluoromethyl)pyrido-[2,3-d]pyrimidin-2(1H)-one
CID 153608581
1-(2-chlorophenyl)-4-[(methylcyclo-buty)amino]-7-(trifluoromethyppyrido-[2,3-d]pyrimidin-2(1H)-one
CID 154933488
1-(2-chlorophenyl)-4((1-methylcyclo-propyl)amino)-7-(trifluoromethyl)-pyrido[2,3-d]pyrimidin-2(1H)-one
CID 154933689
1-(2-chlorophenyl)-4-[(2,2-difluoro-ethyl)amino]-7-(trifluoromethyl)-pyrido[2,3-d]-pyrimidin-2(1H)-one
CID 156514198
2-Pyridinamine, 5-(4-chlorophenyl)-4,6-dimethyl-
CID 158449
4-N-(2-chlorophenyl)-5-ethylpyrimidine-2,4,6-triamine
CID 242429
2-[(2-Chlorophenyl)amino]-4,6-dimethylpyridine-3-carbonitrile
CID 661313

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dichlorophenyl)-6-methyl-4-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of N-(2,6-dichlorophenyl)-6-methyl-4-(trifluoromethyl)pyridin-2-amine (CID 19814841) is N-(2,6-dichlorophenyl)-6-methyl-4-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for N-(2,6-dichlorophenyl)-6-methyl-4-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for N-(2,6-dichlorophenyl)-6-methyl-4-(trifluoromethyl)pyridin-2-amine is Cc1cc(C(F)(F)F)cc(Nc2c(Cl)cccc2Cl)n1.
What is the InChIKey of N-(2,6-dichlorophenyl)-6-methyl-4-(trifluoromethyl)pyridin-2-amine?
The InChIKey is ISPNGTIXUQULQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2F3N2/c1-7-5-8(13(16,17)18)6-11(19-7)20-12-9(14)3-2-4-10(12)15/h2-6H,1H3,(H,19,20).
What are the key properties of N-(2,6-dichlorophenyl)-6-methyl-4-(trifluoromethyl)pyridin-2-amine?
N-(2,6-dichlorophenyl)-6-methyl-4-(trifluoromethyl)pyridin-2-amine has a molecular weight of 321.13 g/mol, XLogP of 5.46, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dichlorophenyl)-6-methyl-4-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 19814841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).