6-bromo-N,N-dimethyl-4-(trifluoromethyl)pyridin-2-amine

C8H8BrF3N2 — CID 150570781

IUPAC6-bromo-N,N-dimethyl-4-(trifluoromethyl)pyridin-2-amine
SMILESCN(C)c1cc(C(F)(F)F)cc(Br)n1
InChIInChI=1S/C8H8BrF3N2/c1-14(2)7-4-5(8(10,11)12)3-6(9)13-7/h3-4H,1-2H3
InChIKeyILUIWILQVFNASR-UHFFFAOYSA-N
MW269.06 g/mol
LogP2.93
Rot. Bonds1

About 6-bromo-N,N-dimethyl-4-(trifluoromethyl)pyridin-2-amine

6-bromo-N,N-dimethyl-4-(trifluoromethyl)pyridin-2-amine (PubChem CID 150570781) has the molecular formula C8H8BrF3N2 and a molecular weight of 269.06 g/mol. Its IUPAC name is 6-bromo-N,N-dimethyl-4-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name6-bromo-N,N-dimethyl-4-(trifluoromethyl)pyridin-2-amine
PubChem CID150570781
Molecular FormulaC8H8BrF3N2
Molecular Weight269.06 g/mol
Exact Mass267.98
IUPAC Name6-bromo-N,N-dimethyl-4-(trifluoromethyl)pyridin-2-amine
SMILESCN(C)c1cc(C(F)(F)F)cc(Br)n1
InChIInChI=1S/C8H8BrF3N2/c1-14(2)7-4-5(8(10,11)12)3-6(9)13-7/h3-4H,1-2H3
InChIKeyILUIWILQVFNASR-UHFFFAOYSA-N
XLogP2.93
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.06
LogP ≤ 52.93
H-Bond Donors ≤ 50
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,N-dimethyl-4-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 6-bromo-N,N-dimethyl-4-(trifluoromethyl)pyridin-2-amine (CID 150570781) is 6-bromo-N,N-dimethyl-4-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 6-bromo-N,N-dimethyl-4-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 6-bromo-N,N-dimethyl-4-(trifluoromethyl)pyridin-2-amine is CN(C)c1cc(C(F)(F)F)cc(Br)n1.
What is the InChIKey of 6-bromo-N,N-dimethyl-4-(trifluoromethyl)pyridin-2-amine?
The InChIKey is ILUIWILQVFNASR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrF3N2/c1-14(2)7-4-5(8(10,11)12)3-6(9)13-7/h3-4H,1-2H3.
What are the key properties of 6-bromo-N,N-dimethyl-4-(trifluoromethyl)pyridin-2-amine?
6-bromo-N,N-dimethyl-4-(trifluoromethyl)pyridin-2-amine has a molecular weight of 269.06 g/mol, XLogP of 2.93, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N,N-dimethyl-4-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 150570781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).