N-(2-bromo-5-fluorophenyl)-6-chloro-4-(trifluoromethyl)pyridin-2-amine

C12H6BrClF4N2 — CID 107637179

IUPACN-(2-bromo-5-fluorophenyl)-6-chloro-4-(trifluoromethyl)pyridin-2-amine
SMILESFc1ccc(Br)c(Nc2cc(C(F)(F)F)cc(Cl)n2)c1
InChIInChI=1S/C12H6BrClF4N2/c13-8-2-1-7(15)5-9(8)19-11-4-6(12(16,17)18)3-10(14)20-11/h1-5H,(H,19,20)
InChIKeyAYPWEIIQCDJLTM-UHFFFAOYSA-N
MW369.54 g/mol
LogP5.40
Rot. Bonds2

About N-(2-bromo-5-fluorophenyl)-6-chloro-4-(trifluoromethyl)pyridin-2-amine

N-(2-bromo-5-fluorophenyl)-6-chloro-4-(trifluoromethyl)pyridin-2-amine (PubChem CID 107637179) has the molecular formula C12H6BrClF4N2 and a molecular weight of 369.54 g/mol. Its IUPAC name is N-(2-bromo-5-fluorophenyl)-6-chloro-4-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-(2-bromo-5-fluorophenyl)-6-chloro-4-(trifluoromethyl)pyridin-2-amine
PubChem CID107637179
Molecular FormulaC12H6BrClF4N2
Molecular Weight369.54 g/mol
Exact Mass367.93
IUPAC NameN-(2-bromo-5-fluorophenyl)-6-chloro-4-(trifluoromethyl)pyridin-2-amine
SMILESFc1ccc(Br)c(Nc2cc(C(F)(F)F)cc(Cl)n2)c1
InChIInChI=1S/C12H6BrClF4N2/c13-8-2-1-7(15)5-9(8)19-11-4-6(12(16,17)18)3-10(14)20-11/h1-5H,(H,19,20)
InChIKeyAYPWEIIQCDJLTM-UHFFFAOYSA-N
XLogP5.40
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.54
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

6-chloro-N-(2,4-dibromophenyl)-4-(trifluoromethyl)pyridin-2-amine
CID 102715636
6-chloro-N-(5-chloro-2-fluorophenyl)-4-(trifluoromethyl)pyridin-2-amine
CID 102715497
N-(4-bromo-3-chlorophenyl)-6-chloro-4-(trifluoromethyl)pyridin-2-amine
CID 107615011
3-bromo-4-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]benzonitrile
CID 107792440
N-(2-bromo-4-fluorophenyl)-6-chloro-2-methylpyrimidin-4-amine
CID 62481305
6-N-(2-chloro-4-fluorophenyl)-2-N-methyl-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102716940
6-chloro-N-(2,6-dichlorophenyl)-4-(trifluoromethyl)pyridin-2-amine
CID 102715985
N-(2-bromo-5-fluorophenyl)-6-hydrazinyl-2-methylpyrimidin-4-amine
CID 107639608
2-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]benzonitrile
CID 102715383
N-(2-bromo-5-methylphenyl)-6-hydrazinyl-4-(trifluoromethyl)pyridin-2-amine
CID 102721054
6-chloro-N-(2-chloro-6-fluorophenyl)-4-(trifluoromethyl)pyridin-2-amine
CID 102716226
6-bromo-N-(2-bromo-5-fluorophenyl)pyridin-2-amine
CID 107637214

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-5-fluorophenyl)-6-chloro-4-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of N-(2-bromo-5-fluorophenyl)-6-chloro-4-(trifluoromethyl)pyridin-2-amine (CID 107637179) is N-(2-bromo-5-fluorophenyl)-6-chloro-4-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for N-(2-bromo-5-fluorophenyl)-6-chloro-4-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for N-(2-bromo-5-fluorophenyl)-6-chloro-4-(trifluoromethyl)pyridin-2-amine is Fc1ccc(Br)c(Nc2cc(C(F)(F)F)cc(Cl)n2)c1.
What is the InChIKey of N-(2-bromo-5-fluorophenyl)-6-chloro-4-(trifluoromethyl)pyridin-2-amine?
The InChIKey is AYPWEIIQCDJLTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6BrClF4N2/c13-8-2-1-7(15)5-9(8)19-11-4-6(12(16,17)18)3-10(14)20-11/h1-5H,(H,19,20).
What are the key properties of N-(2-bromo-5-fluorophenyl)-6-chloro-4-(trifluoromethyl)pyridin-2-amine?
N-(2-bromo-5-fluorophenyl)-6-chloro-4-(trifluoromethyl)pyridin-2-amine has a molecular weight of 369.54 g/mol, XLogP of 5.40, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-5-fluorophenyl)-6-chloro-4-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 107637179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).