3-bromo-5-(trifluoromethyl)pyridin-2-amine

C6H4BrF3N2 — CID 13064155

IUPAC3-bromo-5-(trifluoromethyl)pyridin-2-amine
SMILESNc1ncc(C(F)(F)F)cc1Br
InChIInChI=1S/C6H4BrF3N2/c7-4-1-3(6(8,9)10)2-12-5(4)11/h1-2H,(H2,11,12)
InChIKeyKBNACDZKKVMULE-UHFFFAOYSA-N
MW241.01 g/mol
LogP2.45
Rot. Bonds

About 3-bromo-5-(trifluoromethyl)pyridin-2-amine

3-bromo-5-(trifluoromethyl)pyridin-2-amine (PubChem CID 13064155) has the molecular formula C6H4BrF3N2 and a molecular weight of 241.01 g/mol. Its IUPAC name is 3-bromo-5-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name3-bromo-5-(trifluoromethyl)pyridin-2-amine
PubChem CID13064155
Molecular FormulaC6H4BrF3N2
Molecular Weight241.01 g/mol
Exact Mass239.95
IUPAC Name3-bromo-5-(trifluoromethyl)pyridin-2-amine
SMILESNc1ncc(C(F)(F)F)cc1Br
InChIInChI=1S/C6H4BrF3N2/c7-4-1-3(6(8,9)10)2-12-5(4)11/h1-2H,(H2,11,12)
InChIKeyKBNACDZKKVMULE-UHFFFAOYSA-N
XLogP2.45
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.01
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 3-bromo-5-(trifluoromethyl)pyridin-2-amine (CID 13064155) is 3-bromo-5-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 3-bromo-5-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 3-bromo-5-(trifluoromethyl)pyridin-2-amine is Nc1ncc(C(F)(F)F)cc1Br.
What is the InChIKey of 3-bromo-5-(trifluoromethyl)pyridin-2-amine?
The InChIKey is KBNACDZKKVMULE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4BrF3N2/c7-4-1-3(6(8,9)10)2-12-5(4)11/h1-2H,(H2,11,12).
What are the key properties of 3-bromo-5-(trifluoromethyl)pyridin-2-amine?
3-bromo-5-(trifluoromethyl)pyridin-2-amine has a molecular weight of 241.01 g/mol, XLogP of 2.45, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 13064155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).