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

C12H8BrF3N2O — CID 66330854

IUPAC5-bromo-2-[[4-(trifluoromethyl)-2-pyridinyl]oxy]aniline
SMILESNc1cc(Br)ccc1Oc1cc(C(F)(F)F)ccn1
InChIInChI=1S/C12H8BrF3N2O/c13-8-1-2-10(9(17)6-8)19-11-5-7(3-4-18-11)12(14,15)16/h1-6H,17H2
InChIKeyNJTFKSCPEMTLFS-UHFFFAOYSA-N
MW333.11 g/mol
LogP4.24
Rot. Bonds2

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

5-bromo-2-[[4-(trifluoromethyl)-2-pyridinyl]oxy]aniline (PubChem CID 66330854) has the molecular formula C12H8BrF3N2O and a molecular weight of 333.11 g/mol. Its IUPAC name is 5-bromo-2-[[4-(trifluoromethyl)-2-pyridinyl]oxy]aniline.

Molecular Properties

Compound Name5-bromo-2-[[4-(trifluoromethyl)-2-pyridinyl]oxy]aniline
PubChem CID66330854
Molecular FormulaC12H8BrF3N2O
Molecular Weight333.11 g/mol
Exact Mass331.98
IUPAC Name5-bromo-2-[[4-(trifluoromethyl)-2-pyridinyl]oxy]aniline
SMILESNc1cc(Br)ccc1Oc1cc(C(F)(F)F)ccn1
InChIInChI=1S/C12H8BrF3N2O/c13-8-1-2-10(9(17)6-8)19-11-5-7(3-4-18-11)12(14,15)16/h1-6H,17H2
InChIKeyNJTFKSCPEMTLFS-UHFFFAOYSA-N
XLogP4.24
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.11
LogP ≤ 54.24
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

5-bromo-2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]aniline
CID 65429611
5-bromo-2-[(5-fluoro-2-pyridinyl)oxy]aniline
CID 65429431
5-chloro-2-[[4-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid
CID 66330074
6-(5-bromo-2-fluorophenoxy)-4-(trifluoromethyl)pyridin-2-amine
CID 102720122
2-(3-bromo-4-fluorophenoxy)-4-(trifluoromethyl)pyridine
CID 83235033
2-pyridazin-3-yloxy-5-(trifluoromethyl)aniline
CID 82000159
2-(4-bromo-3-methylphenoxy)-4-(trifluoromethyl)pyridine
CID 83133978
5-bromo-2-(trifluoromethoxy)aniline
CID 2779367
methyl 4-(2-amino-4-bromophenoxy)pyrimidine-2-carboxylate
CID 66287689
2-[(5-bromo-2-pyridinyl)methoxy]-5-(trifluoromethyl)aniline
CID 104795950
3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]pyridine-4-carboxylic acid
CID 81443299
5-bromo-2-[2-(2,2,2-trifluoroethoxy)ethoxy]aniline
CID 65429422

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[[4-(trifluoromethyl)-2-pyridinyl]oxy]aniline?
The IUPAC name of 5-bromo-2-[[4-(trifluoromethyl)-2-pyridinyl]oxy]aniline (CID 66330854) is 5-bromo-2-[[4-(trifluoromethyl)-2-pyridinyl]oxy]aniline.
What is the SMILES notation for 5-bromo-2-[[4-(trifluoromethyl)-2-pyridinyl]oxy]aniline?
The canonical SMILES for 5-bromo-2-[[4-(trifluoromethyl)-2-pyridinyl]oxy]aniline is Nc1cc(Br)ccc1Oc1cc(C(F)(F)F)ccn1.
What is the InChIKey of 5-bromo-2-[[4-(trifluoromethyl)-2-pyridinyl]oxy]aniline?
The InChIKey is NJTFKSCPEMTLFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrF3N2O/c13-8-1-2-10(9(17)6-8)19-11-5-7(3-4-18-11)12(14,15)16/h1-6H,17H2.
What are the key properties of 5-bromo-2-[[4-(trifluoromethyl)-2-pyridinyl]oxy]aniline?
5-bromo-2-[[4-(trifluoromethyl)-2-pyridinyl]oxy]aniline has a molecular weight of 333.11 g/mol, XLogP of 4.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[[4-(trifluoromethyl)-2-pyridinyl]oxy]aniline is sourced from PubChem (CID 66330854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).