3-bromo-5-(trifluoromethyl)pyridin-4-amine

C6H4BrF3N2 — CID 118806481

IUPAC3-bromo-5-(trifluoromethyl)pyridin-4-amine
SMILESNc1c(Br)cncc1C(F)(F)F
InChIInChI=1S/C6H4BrF3N2/c7-4-2-12-1-3(5(4)11)6(8,9)10/h1-2H,(H2,11,12)
InChIKeyJXVAWFHSQWZYKG-UHFFFAOYSA-N
MW241.01 g/mol
LogP2.45
Rot. Bonds

About 3-bromo-5-(trifluoromethyl)pyridin-4-amine

3-bromo-5-(trifluoromethyl)pyridin-4-amine (PubChem CID 118806481) has the molecular formula C6H4BrF3N2 and a molecular weight of 241.01 g/mol. Its IUPAC name is 3-bromo-5-(trifluoromethyl)pyridin-4-amine.

Molecular Properties

Compound Name3-bromo-5-(trifluoromethyl)pyridin-4-amine
PubChem CID118806481
Molecular FormulaC6H4BrF3N2
Molecular Weight241.01 g/mol
Exact Mass239.95
IUPAC Name3-bromo-5-(trifluoromethyl)pyridin-4-amine
SMILESNc1c(Br)cncc1C(F)(F)F
InChIInChI=1S/C6H4BrF3N2/c7-4-2-12-1-3(5(4)11)6(8,9)10/h1-2H,(H2,11,12)
InChIKeyJXVAWFHSQWZYKG-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-4-amine?
The IUPAC name of 3-bromo-5-(trifluoromethyl)pyridin-4-amine (CID 118806481) is 3-bromo-5-(trifluoromethyl)pyridin-4-amine.
What is the SMILES notation for 3-bromo-5-(trifluoromethyl)pyridin-4-amine?
The canonical SMILES for 3-bromo-5-(trifluoromethyl)pyridin-4-amine is Nc1c(Br)cncc1C(F)(F)F.
What is the InChIKey of 3-bromo-5-(trifluoromethyl)pyridin-4-amine?
The InChIKey is JXVAWFHSQWZYKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4BrF3N2/c7-4-2-12-1-3(5(4)11)6(8,9)10/h1-2H,(H2,11,12).
What are the key properties of 3-bromo-5-(trifluoromethyl)pyridin-4-amine?
3-bromo-5-(trifluoromethyl)pyridin-4-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-4-amine is sourced from PubChem (CID 118806481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).