5-bromo-3-chloro-6-(trifluoromethoxy)pyridin-2-amine

C6H3BrClF3N2O — CID 131011038

IUPAC5-bromo-3-chloro-6-(trifluoromethoxy)pyridin-2-amine
SMILESNc1nc(OC(F)(F)F)c(Br)cc1Cl
InChIInChI=1S/C6H3BrClF3N2O/c7-2-1-3(8)4(12)13-5(2)14-6(9,10)11/h1H,(H2,12,13)
InChIKeyDREKUAYTFJYQFX-UHFFFAOYSA-N
MW291.45 g/mol
LogP2.98
Rot. Bonds1

About 5-bromo-3-chloro-6-(trifluoromethoxy)pyridin-2-amine

5-bromo-3-chloro-6-(trifluoromethoxy)pyridin-2-amine (PubChem CID 131011038) has the molecular formula C6H3BrClF3N2O and a molecular weight of 291.45 g/mol. Its IUPAC name is 5-bromo-3-chloro-6-(trifluoromethoxy)pyridin-2-amine.

Molecular Properties

Compound Name5-bromo-3-chloro-6-(trifluoromethoxy)pyridin-2-amine
PubChem CID131011038
Molecular FormulaC6H3BrClF3N2O
Molecular Weight291.45 g/mol
Exact Mass289.91
IUPAC Name5-bromo-3-chloro-6-(trifluoromethoxy)pyridin-2-amine
SMILESNc1nc(OC(F)(F)F)c(Br)cc1Cl
InChIInChI=1S/C6H3BrClF3N2O/c7-2-1-3(8)4(12)13-5(2)14-6(9,10)11/h1H,(H2,12,13)
InChIKeyDREKUAYTFJYQFX-UHFFFAOYSA-N
XLogP2.98
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.45
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-chloro-6-(trifluoromethoxy)pyridin-2-amine?
The IUPAC name of 5-bromo-3-chloro-6-(trifluoromethoxy)pyridin-2-amine (CID 131011038) is 5-bromo-3-chloro-6-(trifluoromethoxy)pyridin-2-amine.
What is the SMILES notation for 5-bromo-3-chloro-6-(trifluoromethoxy)pyridin-2-amine?
The canonical SMILES for 5-bromo-3-chloro-6-(trifluoromethoxy)pyridin-2-amine is Nc1nc(OC(F)(F)F)c(Br)cc1Cl.
What is the InChIKey of 5-bromo-3-chloro-6-(trifluoromethoxy)pyridin-2-amine?
The InChIKey is DREKUAYTFJYQFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3BrClF3N2O/c7-2-1-3(8)4(12)13-5(2)14-6(9,10)11/h1H,(H2,12,13).
What are the key properties of 5-bromo-3-chloro-6-(trifluoromethoxy)pyridin-2-amine?
5-bromo-3-chloro-6-(trifluoromethoxy)pyridin-2-amine has a molecular weight of 291.45 g/mol, XLogP of 2.98, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-chloro-6-(trifluoromethoxy)pyridin-2-amine is sourced from PubChem (CID 131011038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).