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

C12H6Cl2F4N2 — CID 102715497

IUPAC6-chloro-N-(5-chloro-2-fluorophenyl)-4-(trifluoromethyl)pyridin-2-amine
SMILESFc1ccc(Cl)cc1Nc1cc(C(F)(F)F)cc(Cl)n1
InChIInChI=1S/C12H6Cl2F4N2/c13-7-1-2-8(15)9(5-7)19-11-4-6(12(16,17)18)3-10(14)20-11/h1-5H,(H,19,20)
InChIKeyQROJMAVBBFQBMD-UHFFFAOYSA-N
MW325.09 g/mol
LogP5.29
Rot. Bonds2

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

6-chloro-N-(5-chloro-2-fluorophenyl)-4-(trifluoromethyl)pyridin-2-amine (PubChem CID 102715497) has the molecular formula C12H6Cl2F4N2 and a molecular weight of 325.09 g/mol. Its IUPAC name is 6-chloro-N-(5-chloro-2-fluorophenyl)-4-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name6-chloro-N-(5-chloro-2-fluorophenyl)-4-(trifluoromethyl)pyridin-2-amine
PubChem CID102715497
Molecular FormulaC12H6Cl2F4N2
Molecular Weight325.09 g/mol
Exact Mass323.98
IUPAC Name6-chloro-N-(5-chloro-2-fluorophenyl)-4-(trifluoromethyl)pyridin-2-amine
SMILESFc1ccc(Cl)cc1Nc1cc(C(F)(F)F)cc(Cl)n1
InChIInChI=1S/C12H6Cl2F4N2/c13-7-1-2-8(15)9(5-7)19-11-4-6(12(16,17)18)3-10(14)20-11/h1-5H,(H,19,20)
InChIKeyQROJMAVBBFQBMD-UHFFFAOYSA-N
XLogP5.29
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.09
LogP ≤ 55.29
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-(5-chloro-2-fluorophenyl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106767179
6-chloro-2-N-(5-chloro-2-fluorophenyl)pyridine-2,4-diamine
CID 114070545
N-(2-bromo-5-fluorophenyl)-6-chloro-4-(trifluoromethyl)pyridin-2-amine
CID 107637179
N-(4-chloro-2-fluorophenyl)-6-hydrazinyl-4-(trifluoromethyl)pyridin-2-amine
CID 102720564
6-N-(4-chloro-2-fluorophenyl)-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102717889
6-chloro-N-(2,4-dibromophenyl)-4-(trifluoromethyl)pyridin-2-amine
CID 102715636
6-chloro-N-(2-chloro-6-fluorophenyl)-4-(trifluoromethyl)pyridin-2-amine
CID 102716226
6-chloro-N-(2,6-dichlorophenyl)-4-(trifluoromethyl)pyridin-2-amine
CID 102715985
4-N-(5-chloro-2-fluorophenyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106770731
2-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]benzonitrile
CID 102715383
1-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-3-(2,4-dichlorophenyl)urea
CID 2781467
6-chloro-N-(2-fluoro-5-methylphenyl)-2-methylpyrimidin-4-amine
CID 62481306

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(5-chloro-2-fluorophenyl)-4-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 6-chloro-N-(5-chloro-2-fluorophenyl)-4-(trifluoromethyl)pyridin-2-amine (CID 102715497) is 6-chloro-N-(5-chloro-2-fluorophenyl)-4-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 6-chloro-N-(5-chloro-2-fluorophenyl)-4-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 6-chloro-N-(5-chloro-2-fluorophenyl)-4-(trifluoromethyl)pyridin-2-amine is Fc1ccc(Cl)cc1Nc1cc(C(F)(F)F)cc(Cl)n1.
What is the InChIKey of 6-chloro-N-(5-chloro-2-fluorophenyl)-4-(trifluoromethyl)pyridin-2-amine?
The InChIKey is QROJMAVBBFQBMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6Cl2F4N2/c13-7-1-2-8(15)9(5-7)19-11-4-6(12(16,17)18)3-10(14)20-11/h1-5H,(H,19,20).
What are the key properties of 6-chloro-N-(5-chloro-2-fluorophenyl)-4-(trifluoromethyl)pyridin-2-amine?
6-chloro-N-(5-chloro-2-fluorophenyl)-4-(trifluoromethyl)pyridin-2-amine has a molecular weight of 325.09 g/mol, XLogP of 5.29, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(5-chloro-2-fluorophenyl)-4-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 102715497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).