5-bromo-N-[4-bromo-2-(trifluoromethoxy)phenyl]pyridin-2-amine

C12H7Br2F3N2O — CID 103193595

IUPAC5-bromo-N-[4-bromo-2-(trifluoromethoxy)phenyl]pyridin-2-amine
SMILESFC(F)(F)Oc1cc(Br)ccc1Nc1ccc(Br)cn1
InChIInChI=1S/C12H7Br2F3N2O/c13-7-1-3-9(10(5-7)20-12(15,16)17)19-11-4-2-8(14)6-18-11/h1-6H,(H,18,19)
InChIKeyDXJMRYPBVJXZIJ-UHFFFAOYSA-N
MW412.00 g/mol
LogP5.25
Rot. Bonds3

About 5-bromo-N-[4-bromo-2-(trifluoromethoxy)phenyl]pyridin-2-amine

5-bromo-N-[4-bromo-2-(trifluoromethoxy)phenyl]pyridin-2-amine (PubChem CID 103193595) has the molecular formula C12H7Br2F3N2O and a molecular weight of 412.00 g/mol. Its IUPAC name is 5-bromo-N-[4-bromo-2-(trifluoromethoxy)phenyl]pyridin-2-amine.

Molecular Properties

Compound Name5-bromo-N-[4-bromo-2-(trifluoromethoxy)phenyl]pyridin-2-amine
PubChem CID103193595
Molecular FormulaC12H7Br2F3N2O
Molecular Weight412.00 g/mol
Exact Mass409.89
IUPAC Name5-bromo-N-[4-bromo-2-(trifluoromethoxy)phenyl]pyridin-2-amine
SMILESFC(F)(F)Oc1cc(Br)ccc1Nc1ccc(Br)cn1
InChIInChI=1S/C12H7Br2F3N2O/c13-7-1-3-9(10(5-7)20-12(15,16)17)19-11-4-2-8(14)6-18-11/h1-6H,(H,18,19)
InChIKeyDXJMRYPBVJXZIJ-UHFFFAOYSA-N
XLogP5.25
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.00
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[4-bromo-2-(trifluoromethoxy)phenyl]pyridin-2-amine?
The IUPAC name of 5-bromo-N-[4-bromo-2-(trifluoromethoxy)phenyl]pyridin-2-amine (CID 103193595) is 5-bromo-N-[4-bromo-2-(trifluoromethoxy)phenyl]pyridin-2-amine.
What is the SMILES notation for 5-bromo-N-[4-bromo-2-(trifluoromethoxy)phenyl]pyridin-2-amine?
The canonical SMILES for 5-bromo-N-[4-bromo-2-(trifluoromethoxy)phenyl]pyridin-2-amine is FC(F)(F)Oc1cc(Br)ccc1Nc1ccc(Br)cn1.
What is the InChIKey of 5-bromo-N-[4-bromo-2-(trifluoromethoxy)phenyl]pyridin-2-amine?
The InChIKey is DXJMRYPBVJXZIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Br2F3N2O/c13-7-1-3-9(10(5-7)20-12(15,16)17)19-11-4-2-8(14)6-18-11/h1-6H,(H,18,19).
What are the key properties of 5-bromo-N-[4-bromo-2-(trifluoromethoxy)phenyl]pyridin-2-amine?
5-bromo-N-[4-bromo-2-(trifluoromethoxy)phenyl]pyridin-2-amine has a molecular weight of 412.00 g/mol, XLogP of 5.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[4-bromo-2-(trifluoromethoxy)phenyl]pyridin-2-amine is sourced from PubChem (CID 103193595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).