6-N-(4-bromo-3-chlorophenyl)-2-N-methyl-4-(trifluoromethyl)pyridine-2,6-diamine

C13H10BrClF3N3 — CID 107617824

IUPAC6-N-(4-bromo-3-chlorophenyl)-2-N-methyl-4-(trifluoromethyl)pyridine-2,6-diamine
SMILESCNc1cc(C(F)(F)F)cc(Nc2ccc(Br)c(Cl)c2)n1
InChIInChI=1S/C13H10BrClF3N3/c1-19-11-4-7(13(16,17)18)5-12(21-11)20-8-2-3-9(14)10(15)6-8/h2-6H,1H3,(H2,19,20,21)
InChIKeyAGDYKZHRVNROGQ-UHFFFAOYSA-N
MW380.60 g/mol
LogP5.30
Rot. Bonds3

About 6-N-(4-bromo-3-chlorophenyl)-2-N-methyl-4-(trifluoromethyl)pyridine-2,6-diamine

6-N-(4-bromo-3-chlorophenyl)-2-N-methyl-4-(trifluoromethyl)pyridine-2,6-diamine (PubChem CID 107617824) has the molecular formula C13H10BrClF3N3 and a molecular weight of 380.60 g/mol. Its IUPAC name is 6-N-(4-bromo-3-chlorophenyl)-2-N-methyl-4-(trifluoromethyl)pyridine-2,6-diamine.

Molecular Properties

Compound Name6-N-(4-bromo-3-chlorophenyl)-2-N-methyl-4-(trifluoromethyl)pyridine-2,6-diamine
PubChem CID107617824
Molecular FormulaC13H10BrClF3N3
Molecular Weight380.60 g/mol
Exact Mass378.97
IUPAC Name6-N-(4-bromo-3-chlorophenyl)-2-N-methyl-4-(trifluoromethyl)pyridine-2,6-diamine
SMILESCNc1cc(C(F)(F)F)cc(Nc2ccc(Br)c(Cl)c2)n1
InChIInChI=1S/C13H10BrClF3N3/c1-19-11-4-7(13(16,17)18)5-12(21-11)20-8-2-3-9(14)10(15)6-8/h2-6H,1H3,(H2,19,20,21)
InChIKeyAGDYKZHRVNROGQ-UHFFFAOYSA-N
XLogP5.30
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.60
LogP ≤ 55.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-bromo-3-chlorophenyl)-6-chloro-4-(trifluoromethyl)pyridin-2-amine
CID 107615011
4-N-(4-bromo-3-chlorophenyl)-2-ethyl-6-N-methylpyrimidine-4,6-diamine
CID 107617788
4-N-(4-bromo-3-chlorophenyl)-6-N-methylpyrimidine-4,6-diamine
CID 107617790
6-N-(2-chloro-4-fluorophenyl)-2-N-methyl-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102716940
N-(3-bromo-4-methylphenyl)-6-hydrazinyl-4-(trifluoromethyl)pyridin-2-amine
CID 102720734
6-N-(3-methoxyphenyl)-2-N-methyl-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102717128
4-N-(4-bromo-3-chlorophenyl)-2-N-methylpyridine-2,4-diamine
CID 107617821
2-N-[4-bromo-3-(trifluoromethyl)phenyl]-6-N-methylpyrazine-2,6-diamine
CID 80840633
6-chloro-N-(3,4-dimethylphenyl)-4-(trifluoromethyl)pyridin-2-amine
CID 102715335
1-N-(4-bromo-3-chlorophenyl)-4-(trifluoromethyl)benzene-1,2-diamine
CID 107618576
4-N-[3-chloro-5-(trifluoromethyl)phenyl]-6-N,2-dimethylpyrimidine-4,6-diamine
CID 116701005
6-N-(4-chlorophenyl)-2-N-ethyl-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102717083

Frequently Asked Questions

What is the IUPAC name of 6-N-(4-bromo-3-chlorophenyl)-2-N-methyl-4-(trifluoromethyl)pyridine-2,6-diamine?
The IUPAC name of 6-N-(4-bromo-3-chlorophenyl)-2-N-methyl-4-(trifluoromethyl)pyridine-2,6-diamine (CID 107617824) is 6-N-(4-bromo-3-chlorophenyl)-2-N-methyl-4-(trifluoromethyl)pyridine-2,6-diamine.
What is the SMILES notation for 6-N-(4-bromo-3-chlorophenyl)-2-N-methyl-4-(trifluoromethyl)pyridine-2,6-diamine?
The canonical SMILES for 6-N-(4-bromo-3-chlorophenyl)-2-N-methyl-4-(trifluoromethyl)pyridine-2,6-diamine is CNc1cc(C(F)(F)F)cc(Nc2ccc(Br)c(Cl)c2)n1.
What is the InChIKey of 6-N-(4-bromo-3-chlorophenyl)-2-N-methyl-4-(trifluoromethyl)pyridine-2,6-diamine?
The InChIKey is AGDYKZHRVNROGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrClF3N3/c1-19-11-4-7(13(16,17)18)5-12(21-11)20-8-2-3-9(14)10(15)6-8/h2-6H,1H3,(H2,19,20,21).
What are the key properties of 6-N-(4-bromo-3-chlorophenyl)-2-N-methyl-4-(trifluoromethyl)pyridine-2,6-diamine?
6-N-(4-bromo-3-chlorophenyl)-2-N-methyl-4-(trifluoromethyl)pyridine-2,6-diamine has a molecular weight of 380.60 g/mol, XLogP of 5.30, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(4-bromo-3-chlorophenyl)-2-N-methyl-4-(trifluoromethyl)pyridine-2,6-diamine is sourced from PubChem (CID 107617824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).