2-[(5-bromo-2-pyridinyl)methoxy]-5-(trifluoromethyl)aniline

C13H10BrF3N2O — CID 104795950

IUPAC2-[(5-bromo-2-pyridinyl)methoxy]-5-(trifluoromethyl)aniline
SMILESNc1cc(C(F)(F)F)ccc1OCc1ccc(Br)cn1
InChIInChI=1S/C13H10BrF3N2O/c14-9-2-3-10(19-6-9)7-20-12-4-1-8(5-11(12)18)13(15,16)17/h1-6H,7,18H2
InChIKeyKSAMQSIWGDPYIG-UHFFFAOYSA-N
MW347.13 g/mol
LogP4.02
Rot. Bonds3

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

2-[(5-bromo-2-pyridinyl)methoxy]-5-(trifluoromethyl)aniline (PubChem CID 104795950) has the molecular formula C13H10BrF3N2O and a molecular weight of 347.13 g/mol. Its IUPAC name is 2-[(5-bromo-2-pyridinyl)methoxy]-5-(trifluoromethyl)aniline.

Molecular Properties

Compound Name2-[(5-bromo-2-pyridinyl)methoxy]-5-(trifluoromethyl)aniline
PubChem CID104795950
Molecular FormulaC13H10BrF3N2O
Molecular Weight347.13 g/mol
Exact Mass345.99
IUPAC Name2-[(5-bromo-2-pyridinyl)methoxy]-5-(trifluoromethyl)aniline
SMILESNc1cc(C(F)(F)F)ccc1OCc1ccc(Br)cn1
InChIInChI=1S/C13H10BrF3N2O/c14-9-2-3-10(19-6-9)7-20-12-4-1-8(5-11(12)18)13(15,16)17/h1-6H,7,18H2
InChIKeyKSAMQSIWGDPYIG-UHFFFAOYSA-N
XLogP4.02
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.13
LogP ≤ 54.02
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-(1,3-thiazol-2-ylmethoxy)-5-(trifluoromethyl)aniline
CID 82007498
5-(trifluoromethyl)-2-[(3,4,5-trimethoxyphenyl)methoxy]aniline
CID 19627067
2-[(2-methoxyphenyl)methoxy]-5-(trifluoromethyl)aniline
CID 19627063
2-[(2-fluorophenyl)methoxy]-5-(trifluoromethyl)aniline
CID 63933444
5-bromo-2-[(2-bromo-4-chlorophenoxy)methyl]pyridine
CID 104809665
5-bromo-2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]aniline
CID 65429611
2-[(1-ethyl-5-methylpyrazol-4-yl)methoxy]-5-(trifluoromethyl)aniline
CID 19627049
5-bromo-2-[(2-methoxy-4-methylphenoxy)methyl]pyridine
CID 113455729
4-[(5-bromo-2-pyridinyl)methoxy]-3-fluorobenzenesulfonyl chloride
CID 104796562
4-[(5-bromo-2-pyridinyl)methoxy]-3-fluorobenzaldehyde
CID 107689523
2-[(5-bromo-2-pyridinyl)methoxy]-5-fluorobenzoic acid
CID 113454048
5-bromo-2-[[4-(trifluoromethyl)-2-pyridinyl]oxy]aniline
CID 66330854

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-2-pyridinyl)methoxy]-5-(trifluoromethyl)aniline?
The IUPAC name of 2-[(5-bromo-2-pyridinyl)methoxy]-5-(trifluoromethyl)aniline (CID 104795950) is 2-[(5-bromo-2-pyridinyl)methoxy]-5-(trifluoromethyl)aniline.
What is the SMILES notation for 2-[(5-bromo-2-pyridinyl)methoxy]-5-(trifluoromethyl)aniline?
The canonical SMILES for 2-[(5-bromo-2-pyridinyl)methoxy]-5-(trifluoromethyl)aniline is Nc1cc(C(F)(F)F)ccc1OCc1ccc(Br)cn1.
What is the InChIKey of 2-[(5-bromo-2-pyridinyl)methoxy]-5-(trifluoromethyl)aniline?
The InChIKey is KSAMQSIWGDPYIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrF3N2O/c14-9-2-3-10(19-6-9)7-20-12-4-1-8(5-11(12)18)13(15,16)17/h1-6H,7,18H2.
What are the key properties of 2-[(5-bromo-2-pyridinyl)methoxy]-5-(trifluoromethyl)aniline?
2-[(5-bromo-2-pyridinyl)methoxy]-5-(trifluoromethyl)aniline has a molecular weight of 347.13 g/mol, XLogP of 4.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromo-2-pyridinyl)methoxy]-5-(trifluoromethyl)aniline is sourced from PubChem (CID 104795950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).