6-bromo-N-[2-chloro-4-(trifluoromethyl)phenyl]pyridin-2-amine

C12H7BrClF3N2 — CID 63962611

IUPAC6-bromo-N-[2-chloro-4-(trifluoromethyl)phenyl]pyridin-2-amine
SMILESFC(F)(F)c1ccc(Nc2cccc(Br)n2)c(Cl)c1
InChIInChI=1S/C12H7BrClF3N2/c13-10-2-1-3-11(19-10)18-9-5-4-7(6-8(9)14)12(15,16)17/h1-6H,(H,18,19)
InChIKeyCUSFSANMZLTKII-UHFFFAOYSA-N
MW351.55 g/mol
LogP5.26
Rot. Bonds2

About 6-bromo-N-[2-chloro-4-(trifluoromethyl)phenyl]pyridin-2-amine

6-bromo-N-[2-chloro-4-(trifluoromethyl)phenyl]pyridin-2-amine (PubChem CID 63962611) has the molecular formula C12H7BrClF3N2 and a molecular weight of 351.55 g/mol. Its IUPAC name is 6-bromo-N-[2-chloro-4-(trifluoromethyl)phenyl]pyridin-2-amine.

Molecular Properties

Compound Name6-bromo-N-[2-chloro-4-(trifluoromethyl)phenyl]pyridin-2-amine
PubChem CID63962611
Molecular FormulaC12H7BrClF3N2
Molecular Weight351.55 g/mol
Exact Mass349.94
IUPAC Name6-bromo-N-[2-chloro-4-(trifluoromethyl)phenyl]pyridin-2-amine
SMILESFC(F)(F)c1ccc(Nc2cccc(Br)n2)c(Cl)c1
InChIInChI=1S/C12H7BrClF3N2/c13-10-2-1-3-11(19-10)18-9-5-4-7(6-8(9)14)12(15,16)17/h1-6H,(H,18,19)
InChIKeyCUSFSANMZLTKII-UHFFFAOYSA-N
XLogP5.26
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.55
LogP ≤ 55.26
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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Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-[2-chloro-4-(trifluoromethyl)phenyl]pyridin-2-amine?
The IUPAC name of 6-bromo-N-[2-chloro-4-(trifluoromethyl)phenyl]pyridin-2-amine (CID 63962611) is 6-bromo-N-[2-chloro-4-(trifluoromethyl)phenyl]pyridin-2-amine.
What is the SMILES notation for 6-bromo-N-[2-chloro-4-(trifluoromethyl)phenyl]pyridin-2-amine?
The canonical SMILES for 6-bromo-N-[2-chloro-4-(trifluoromethyl)phenyl]pyridin-2-amine is FC(F)(F)c1ccc(Nc2cccc(Br)n2)c(Cl)c1.
What is the InChIKey of 6-bromo-N-[2-chloro-4-(trifluoromethyl)phenyl]pyridin-2-amine?
The InChIKey is CUSFSANMZLTKII-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7BrClF3N2/c13-10-2-1-3-11(19-10)18-9-5-4-7(6-8(9)14)12(15,16)17/h1-6H,(H,18,19).
What are the key properties of 6-bromo-N-[2-chloro-4-(trifluoromethyl)phenyl]pyridin-2-amine?
6-bromo-N-[2-chloro-4-(trifluoromethyl)phenyl]pyridin-2-amine has a molecular weight of 351.55 g/mol, XLogP of 5.26, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-[2-chloro-4-(trifluoromethyl)phenyl]pyridin-2-amine is sourced from PubChem (CID 63962611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).