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

C8H8BrF3N2 — CID 169116611

IUPAC5-bromo-N,N-dimethyl-6-(trifluoromethyl)pyridin-2-amine
SMILESCN(C)c1ccc(Br)c(C(F)(F)F)n1
InChIInChI=1S/C8H8BrF3N2/c1-14(2)6-4-3-5(9)7(13-6)8(10,11)12/h3-4H,1-2H3
InChIKeyQJWXMVNQXNHQDE-UHFFFAOYSA-N
MW269.06 g/mol
LogP2.93
Rot. Bonds1

About 5-bromo-N,N-dimethyl-6-(trifluoromethyl)pyridin-2-amine

5-bromo-N,N-dimethyl-6-(trifluoromethyl)pyridin-2-amine (PubChem CID 169116611) has the molecular formula C8H8BrF3N2 and a molecular weight of 269.06 g/mol. Its IUPAC name is 5-bromo-N,N-dimethyl-6-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name5-bromo-N,N-dimethyl-6-(trifluoromethyl)pyridin-2-amine
PubChem CID169116611
Molecular FormulaC8H8BrF3N2
Molecular Weight269.06 g/mol
Exact Mass267.98
IUPAC Name5-bromo-N,N-dimethyl-6-(trifluoromethyl)pyridin-2-amine
SMILESCN(C)c1ccc(Br)c(C(F)(F)F)n1
InChIInChI=1S/C8H8BrF3N2/c1-14(2)6-4-3-5(9)7(13-6)8(10,11)12/h3-4H,1-2H3
InChIKeyQJWXMVNQXNHQDE-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

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N,N-dimethyl-6-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 5-bromo-N,N-dimethyl-6-(trifluoromethyl)pyridin-2-amine (CID 169116611) is 5-bromo-N,N-dimethyl-6-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 5-bromo-N,N-dimethyl-6-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 5-bromo-N,N-dimethyl-6-(trifluoromethyl)pyridin-2-amine is CN(C)c1ccc(Br)c(C(F)(F)F)n1.
What is the InChIKey of 5-bromo-N,N-dimethyl-6-(trifluoromethyl)pyridin-2-amine?
The InChIKey is QJWXMVNQXNHQDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrF3N2/c1-14(2)6-4-3-5(9)7(13-6)8(10,11)12/h3-4H,1-2H3.
What are the key properties of 5-bromo-N,N-dimethyl-6-(trifluoromethyl)pyridin-2-amine?
5-bromo-N,N-dimethyl-6-(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 5-bromo-N,N-dimethyl-6-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 169116611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).