N-(4-bromo-3-chlorophenyl)-6-chloro-4-(trifluoromethyl)pyridin-2-amine

C12H6BrCl2F3N2 — CID 107615011

IUPACN-(4-bromo-3-chlorophenyl)-6-chloro-4-(trifluoromethyl)pyridin-2-amine
SMILESFC(F)(F)c1cc(Cl)nc(Nc2ccc(Br)c(Cl)c2)c1
InChIInChI=1S/C12H6BrCl2F3N2/c13-8-2-1-7(5-9(8)14)19-11-4-6(12(16,17)18)3-10(15)20-11/h1-5H,(H,19,20)
InChIKeyQVBWHTIIYZRFEI-UHFFFAOYSA-N
MW386.00 g/mol
LogP5.91
Rot. Bonds2

About N-(4-bromo-3-chlorophenyl)-6-chloro-4-(trifluoromethyl)pyridin-2-amine

N-(4-bromo-3-chlorophenyl)-6-chloro-4-(trifluoromethyl)pyridin-2-amine (PubChem CID 107615011) has the molecular formula C12H6BrCl2F3N2 and a molecular weight of 386.00 g/mol. Its IUPAC name is N-(4-bromo-3-chlorophenyl)-6-chloro-4-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-(4-bromo-3-chlorophenyl)-6-chloro-4-(trifluoromethyl)pyridin-2-amine
PubChem CID107615011
Molecular FormulaC12H6BrCl2F3N2
Molecular Weight386.00 g/mol
Exact Mass383.90
IUPAC NameN-(4-bromo-3-chlorophenyl)-6-chloro-4-(trifluoromethyl)pyridin-2-amine
SMILESFC(F)(F)c1cc(Cl)nc(Nc2ccc(Br)c(Cl)c2)c1
InChIInChI=1S/C12H6BrCl2F3N2/c13-8-2-1-7(5-9(8)14)19-11-4-6(12(16,17)18)3-10(15)20-11/h1-5H,(H,19,20)
InChIKeyQVBWHTIIYZRFEI-UHFFFAOYSA-N
XLogP5.91
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.00
LogP ≤ 55.91
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-N-(4-bromo-3-chlorophenyl)-2-N-methyl-4-(trifluoromethyl)pyridine-2,6-diamine
CID 107617824
6-chloro-N-(3,4-dimethylphenyl)-4-(trifluoromethyl)pyridin-2-amine
CID 102715335
N-(2-bromo-5-fluorophenyl)-6-chloro-4-(trifluoromethyl)pyridin-2-amine
CID 107637179
6-chloro-N-(2,4-dibromophenyl)-4-(trifluoromethyl)pyridin-2-amine
CID 102715636
6-chloro-N-(2,6-dichlorophenyl)-4-(trifluoromethyl)pyridin-2-amine
CID 102715985
3-bromo-4-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]benzonitrile
CID 107792440
N-(4-bromo-3-fluorophenyl)-6-chloro-2-methylpyrimidin-4-amine
CID 65436407
6-chloro-N-(5-chloro-2-fluorophenyl)-4-(trifluoromethyl)pyridin-2-amine
CID 102715497
6-chloro-N-(2-chloro-6-fluorophenyl)-4-(trifluoromethyl)pyridin-2-amine
CID 102716226
1-N-(4-bromo-3-chlorophenyl)-4-(trifluoromethyl)benzene-1,2-diamine
CID 107618576
6-chloro-2-(trifluoromethyl)-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 87998594
N-(3-bromo-4-methylphenyl)-6-hydrazinyl-4-(trifluoromethyl)pyridin-2-amine
CID 102720734

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-chlorophenyl)-6-chloro-4-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of N-(4-bromo-3-chlorophenyl)-6-chloro-4-(trifluoromethyl)pyridin-2-amine (CID 107615011) is N-(4-bromo-3-chlorophenyl)-6-chloro-4-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for N-(4-bromo-3-chlorophenyl)-6-chloro-4-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for N-(4-bromo-3-chlorophenyl)-6-chloro-4-(trifluoromethyl)pyridin-2-amine is FC(F)(F)c1cc(Cl)nc(Nc2ccc(Br)c(Cl)c2)c1.
What is the InChIKey of N-(4-bromo-3-chlorophenyl)-6-chloro-4-(trifluoromethyl)pyridin-2-amine?
The InChIKey is QVBWHTIIYZRFEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6BrCl2F3N2/c13-8-2-1-7(5-9(8)14)19-11-4-6(12(16,17)18)3-10(15)20-11/h1-5H,(H,19,20).
What are the key properties of N-(4-bromo-3-chlorophenyl)-6-chloro-4-(trifluoromethyl)pyridin-2-amine?
N-(4-bromo-3-chlorophenyl)-6-chloro-4-(trifluoromethyl)pyridin-2-amine has a molecular weight of 386.00 g/mol, XLogP of 5.91, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-chlorophenyl)-6-chloro-4-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 107615011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).