2-(3-bromophenoxy)-6-(trifluoromethyl)pyridine-3-carboxylic acid

C13H7BrF3NO3 — CID 79876585

IUPAC2-(3-bromophenoxy)-6-(trifluoromethyl)pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(C(F)(F)F)nc1Oc1cccc(Br)c1
InChIInChI=1S/C13H7BrF3NO3/c14-7-2-1-3-8(6-7)21-11-9(12(19)20)4-5-10(18-11)13(15,16)17/h1-6H,(H,19,20)
InChIKeyYMCUYYKLSYSXOJ-UHFFFAOYSA-N
MW362.10 g/mol
LogP4.35
Rot. Bonds3

About 2-(3-bromophenoxy)-6-(trifluoromethyl)pyridine-3-carboxylic acid

2-(3-bromophenoxy)-6-(trifluoromethyl)pyridine-3-carboxylic acid (PubChem CID 79876585) has the molecular formula C13H7BrF3NO3 and a molecular weight of 362.10 g/mol. Its IUPAC name is 2-(3-bromophenoxy)-6-(trifluoromethyl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(3-bromophenoxy)-6-(trifluoromethyl)pyridine-3-carboxylic acid
PubChem CID79876585
Molecular FormulaC13H7BrF3NO3
Molecular Weight362.10 g/mol
Exact Mass360.96
IUPAC Name2-(3-bromophenoxy)-6-(trifluoromethyl)pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(C(F)(F)F)nc1Oc1cccc(Br)c1
InChIInChI=1S/C13H7BrF3NO3/c14-7-2-1-3-8(6-7)21-11-9(12(19)20)4-5-10(18-11)13(15,16)17/h1-6H,(H,19,20)
InChIKeyYMCUYYKLSYSXOJ-UHFFFAOYSA-N
XLogP4.35
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.10
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-iodophenoxy)-6-(trifluoromethyl)pyridine-3-carboxylic acid
CID 79873647
2-(3-bromophenoxy)-5-nitropyridine-3-carboxylic acid
CID 104629363
2-[(5-methyl-1H-pyrazol-3-yl)oxy]-6-(trifluoromethyl)pyridine-3-carboxylic acid
CID 81342167
2-propan-2-yloxy-6-(trifluoromethyl)pyridine-3-carboxylic acid
CID 79877639
4-(3-bromophenoxy)-2-chlorobenzoic acid
CID 63512624
N'-hydroxy-2-phenoxy-6-(trifluoromethyl)pyridine-3-carboximidamide
CID 79874596
2-(3-bromophenoxy)-2,2-difluoroacetate
CID 162451073
3-[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid
CID 106796769
2-fluoro-6-(trifluoromethyl)pyridine-3-carboxylic acid
CID 97035085
6-chloro-2-(3-nitrophenoxy)pyridine-3-carboxylic acid
CID 63376850
6-methyl-2-(3-nitrophenoxy)pyridine-3-carboxylic acid
CID 62701074
3-(3-bromophenoxy)pyrazine-2-carboxamide
CID 62684983

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenoxy)-6-(trifluoromethyl)pyridine-3-carboxylic acid?
The IUPAC name of 2-(3-bromophenoxy)-6-(trifluoromethyl)pyridine-3-carboxylic acid (CID 79876585) is 2-(3-bromophenoxy)-6-(trifluoromethyl)pyridine-3-carboxylic acid.
What is the SMILES notation for 2-(3-bromophenoxy)-6-(trifluoromethyl)pyridine-3-carboxylic acid?
The canonical SMILES for 2-(3-bromophenoxy)-6-(trifluoromethyl)pyridine-3-carboxylic acid is O=C(O)c1ccc(C(F)(F)F)nc1Oc1cccc(Br)c1.
What is the InChIKey of 2-(3-bromophenoxy)-6-(trifluoromethyl)pyridine-3-carboxylic acid?
The InChIKey is YMCUYYKLSYSXOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7BrF3NO3/c14-7-2-1-3-8(6-7)21-11-9(12(19)20)4-5-10(18-11)13(15,16)17/h1-6H,(H,19,20).
What are the key properties of 2-(3-bromophenoxy)-6-(trifluoromethyl)pyridine-3-carboxylic acid?
2-(3-bromophenoxy)-6-(trifluoromethyl)pyridine-3-carboxylic acid has a molecular weight of 362.10 g/mol, XLogP of 4.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenoxy)-6-(trifluoromethyl)pyridine-3-carboxylic acid is sourced from PubChem (CID 79876585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).