4-[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]oxy]-2-fluoroaniline

C12H7BrF4N2O — CID 106796453

IUPAC4-[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]oxy]-2-fluoroaniline
SMILESNc1ccc(Oc2ncc(Br)cc2C(F)(F)F)cc1F
InChIInChI=1S/C12H7BrF4N2O/c13-6-3-8(12(15,16)17)11(19-5-6)20-7-1-2-10(18)9(14)4-7/h1-5H,18H2
InChIKeyVCKHQYPWPGDDKQ-UHFFFAOYSA-N
MW351.10 g/mol
LogP4.38
Rot. Bonds2

About 4-[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]oxy]-2-fluoroaniline

4-[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]oxy]-2-fluoroaniline (PubChem CID 106796453) has the molecular formula C12H7BrF4N2O and a molecular weight of 351.10 g/mol. Its IUPAC name is 4-[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]oxy]-2-fluoroaniline.

Molecular Properties

Compound Name4-[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]oxy]-2-fluoroaniline
PubChem CID106796453
Molecular FormulaC12H7BrF4N2O
Molecular Weight351.10 g/mol
Exact Mass349.97
IUPAC Name4-[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]oxy]-2-fluoroaniline
SMILESNc1ccc(Oc2ncc(Br)cc2C(F)(F)F)cc1F
InChIInChI=1S/C12H7BrF4N2O/c13-6-3-8(12(15,16)17)11(19-5-6)20-7-1-2-10(18)9(14)4-7/h1-5H,18H2
InChIKeyVCKHQYPWPGDDKQ-UHFFFAOYSA-N
XLogP4.38
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.10
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[4-[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethanamine
CID 106796783
3-bromo-5-[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]oxy]aniline
CID 106796476
5-bromo-3-chloro-2-[4-fluoro-3-(trifluoromethyl)phenoxy]pyridine
CID 103583775
3-[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid
CID 106796769
5-bromo-3-(chloromethyl)-2-[4-fluoro-3-(trifluoromethyl)phenoxy]pyridine
CID 102747278
2-[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]oxy]ethanamine
CID 106796826
5-chloro-2-[4-fluoro-3-(trifluoromethyl)phenoxy]pyridin-3-amine
CID 102746895
5-bromo-3-chloro-2-(3,4-difluorophenoxy)pyridine
CID 103583644
4-(3-bromo-4-fluorophenoxy)-2-(trifluoromethyl)aniline
CID 83232506
2-[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]oxy]acetic acid
CID 106796775
5-amino-6-[4-fluoro-3-(trifluoromethyl)phenoxy]pyridine-3-carbonitrile
CID 103469823
2-bromo-4,6-bis[4-fluoro-3-(trifluoromethyl)phenoxy]pyrimidin-5-amine
CID 86637885

Frequently Asked Questions

What is the IUPAC name of 4-[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]oxy]-2-fluoroaniline?
The IUPAC name of 4-[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]oxy]-2-fluoroaniline (CID 106796453) is 4-[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]oxy]-2-fluoroaniline.
What is the SMILES notation for 4-[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]oxy]-2-fluoroaniline?
The canonical SMILES for 4-[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]oxy]-2-fluoroaniline is Nc1ccc(Oc2ncc(Br)cc2C(F)(F)F)cc1F.
What is the InChIKey of 4-[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]oxy]-2-fluoroaniline?
The InChIKey is VCKHQYPWPGDDKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7BrF4N2O/c13-6-3-8(12(15,16)17)11(19-5-6)20-7-1-2-10(18)9(14)4-7/h1-5H,18H2.
What are the key properties of 4-[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]oxy]-2-fluoroaniline?
4-[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]oxy]-2-fluoroaniline has a molecular weight of 351.10 g/mol, XLogP of 4.38, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]oxy]-2-fluoroaniline is sourced from PubChem (CID 106796453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).