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

C12H7Br2F3N2O — CID 103193591

IUPAC3-bromo-N-[4-bromo-2-(trifluoromethoxy)phenyl]pyridin-2-amine
SMILESFC(F)(F)Oc1cc(Br)ccc1Nc1ncccc1Br
InChIInChI=1S/C12H7Br2F3N2O/c13-7-3-4-9(10(6-7)20-12(15,16)17)19-11-8(14)2-1-5-18-11/h1-6H,(H,18,19)
InChIKeyQJJVYLRRHWBDNG-UHFFFAOYSA-N
MW412.00 g/mol
LogP5.25
Rot. Bonds3

About 3-bromo-N-[4-bromo-2-(trifluoromethoxy)phenyl]pyridin-2-amine

3-bromo-N-[4-bromo-2-(trifluoromethoxy)phenyl]pyridin-2-amine (PubChem CID 103193591) has the molecular formula C12H7Br2F3N2O and a molecular weight of 412.00 g/mol. Its IUPAC name is 3-bromo-N-[4-bromo-2-(trifluoromethoxy)phenyl]pyridin-2-amine.

Molecular Properties

Compound Name3-bromo-N-[4-bromo-2-(trifluoromethoxy)phenyl]pyridin-2-amine
PubChem CID103193591
Molecular FormulaC12H7Br2F3N2O
Molecular Weight412.00 g/mol
Exact Mass409.89
IUPAC Name3-bromo-N-[4-bromo-2-(trifluoromethoxy)phenyl]pyridin-2-amine
SMILESFC(F)(F)Oc1cc(Br)ccc1Nc1ncccc1Br
InChIInChI=1S/C12H7Br2F3N2O/c13-7-3-4-9(10(6-7)20-12(15,16)17)19-11-8(14)2-1-5-18-11/h1-6H,(H,18,19)
InChIKeyQJJVYLRRHWBDNG-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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Related Compounds

3-bromo-N-(4-bromo-2-chlorophenyl)pyridin-2-amine
CID 55219349
5-bromo-N-[4-bromo-2-(trifluoromethoxy)phenyl]pyridin-2-amine
CID 103193595
N-[4-bromo-2-(trifluoromethoxy)phenyl]-4,5-dihydro-1H-imidazol-2-amine
CID 103193106
N-[4-bromo-2-(trifluoromethoxy)phenyl]-1-ethylimidazol-2-amine
CID 106583296
3-bromo-N-[3-(trifluoromethoxy)phenyl]pyridin-2-amine
CID 63462667
4-N-[4-bromo-2-(trifluoromethoxy)phenyl]-5-methylpyrimidine-2,4-diamine
CID 103193719
2-N-[4-bromo-2-(trifluoromethoxy)phenyl]-6-methylpyridine-2,3-diamine
CID 103192737
N-[4-bromo-2-(trifluoromethoxy)phenyl]-4,6-dichloro-1,3,5-triazin-2-amine
CID 103193533
4-N-[4-bromo-2-(trifluoromethoxy)phenyl]-6-N-methylpyrimidine-4,6-diamine
CID 103193720
4-bromo-N-(pyridin-3-ylmethyl)-2-(trifluoromethoxy)aniline
CID 103192963
3-bromo-N-[2-fluoro-5-(trifluoromethyl)phenyl]pyridin-2-amine
CID 63464155
3-bromo-5-chloro-N-[2-(trifluoromethoxy)phenyl]pyridin-2-amine
CID 114836594

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[4-bromo-2-(trifluoromethoxy)phenyl]pyridin-2-amine?
The IUPAC name of 3-bromo-N-[4-bromo-2-(trifluoromethoxy)phenyl]pyridin-2-amine (CID 103193591) is 3-bromo-N-[4-bromo-2-(trifluoromethoxy)phenyl]pyridin-2-amine.
What is the SMILES notation for 3-bromo-N-[4-bromo-2-(trifluoromethoxy)phenyl]pyridin-2-amine?
The canonical SMILES for 3-bromo-N-[4-bromo-2-(trifluoromethoxy)phenyl]pyridin-2-amine is FC(F)(F)Oc1cc(Br)ccc1Nc1ncccc1Br.
What is the InChIKey of 3-bromo-N-[4-bromo-2-(trifluoromethoxy)phenyl]pyridin-2-amine?
The InChIKey is QJJVYLRRHWBDNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Br2F3N2O/c13-7-3-4-9(10(6-7)20-12(15,16)17)19-11-8(14)2-1-5-18-11/h1-6H,(H,18,19).
What are the key properties of 3-bromo-N-[4-bromo-2-(trifluoromethoxy)phenyl]pyridin-2-amine?
3-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 3-bromo-N-[4-bromo-2-(trifluoromethoxy)phenyl]pyridin-2-amine is sourced from PubChem (CID 103193591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).