6-bromo-N-[2-[3-(trifluoromethyl)phenyl]ethyl]pyridin-2-amine

C14H12BrF3N2 — CID 87181108

IUPAC6-bromo-N-[2-[3-(trifluoromethyl)phenyl]ethyl]pyridin-2-amine
SMILESFC(F)(F)c1cccc(CCNc2cccc(Br)n2)c1
InChIInChI=1S/C14H12BrF3N2/c15-12-5-2-6-13(20-12)19-8-7-10-3-1-4-11(9-10)14(16,17)18/h1-6,9H,7-8H2,(H,19,20)
InChIKeyUWUKKFNNGCRXHW-UHFFFAOYSA-N
MW345.16 g/mol
LogP4.52
Rot. Bonds4

About 6-bromo-N-[2-[3-(trifluoromethyl)phenyl]ethyl]pyridin-2-amine

6-bromo-N-[2-[3-(trifluoromethyl)phenyl]ethyl]pyridin-2-amine (PubChem CID 87181108) has the molecular formula C14H12BrF3N2 and a molecular weight of 345.16 g/mol. Its IUPAC name is 6-bromo-N-[2-[3-(trifluoromethyl)phenyl]ethyl]pyridin-2-amine.

Molecular Properties

Compound Name6-bromo-N-[2-[3-(trifluoromethyl)phenyl]ethyl]pyridin-2-amine
PubChem CID87181108
Molecular FormulaC14H12BrF3N2
Molecular Weight345.16 g/mol
Exact Mass344.01
IUPAC Name6-bromo-N-[2-[3-(trifluoromethyl)phenyl]ethyl]pyridin-2-amine
SMILESFC(F)(F)c1cccc(CCNc2cccc(Br)n2)c1
InChIInChI=1S/C14H12BrF3N2/c15-12-5-2-6-13(20-12)19-8-7-10-3-1-4-11(9-10)14(16,17)18/h1-6,9H,7-8H2,(H,19,20)
InChIKeyUWUKKFNNGCRXHW-UHFFFAOYSA-N
XLogP4.52
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.16
LogP ≤ 54.52
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-[3-(trifluoromethyl)phenyl]ethyl]pyridin-2-amine?
The IUPAC name of 6-bromo-N-[2-[3-(trifluoromethyl)phenyl]ethyl]pyridin-2-amine (CID 87181108) is 6-bromo-N-[2-[3-(trifluoromethyl)phenyl]ethyl]pyridin-2-amine.
What is the SMILES notation for 6-bromo-N-[2-[3-(trifluoromethyl)phenyl]ethyl]pyridin-2-amine?
The canonical SMILES for 6-bromo-N-[2-[3-(trifluoromethyl)phenyl]ethyl]pyridin-2-amine is FC(F)(F)c1cccc(CCNc2cccc(Br)n2)c1.
What is the InChIKey of 6-bromo-N-[2-[3-(trifluoromethyl)phenyl]ethyl]pyridin-2-amine?
The InChIKey is UWUKKFNNGCRXHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrF3N2/c15-12-5-2-6-13(20-12)19-8-7-10-3-1-4-11(9-10)14(16,17)18/h1-6,9H,7-8H2,(H,19,20).
What are the key properties of 6-bromo-N-[2-[3-(trifluoromethyl)phenyl]ethyl]pyridin-2-amine?
6-bromo-N-[2-[3-(trifluoromethyl)phenyl]ethyl]pyridin-2-amine has a molecular weight of 345.16 g/mol, XLogP of 4.52, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-[2-[3-(trifluoromethyl)phenyl]ethyl]pyridin-2-amine is sourced from PubChem (CID 87181108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).