6-(4-bromo-2-chloro-5-fluorophenoxy)pyridine-2-carboxylic acid

C12H6BrClFNO3 — CID 114270905

IUPAC6-(4-bromo-2-chloro-5-fluorophenoxy)pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(Oc2cc(F)c(Br)cc2Cl)n1
InChIInChI=1S/C12H6BrClFNO3/c13-6-4-7(14)10(5-8(6)15)19-11-3-1-2-9(16-11)12(17)18/h1-5H,(H,17,18)
InChIKeyKIYNMLFSTZHTKC-UHFFFAOYSA-N
MW346.54 g/mol
LogP4.13
Rot. Bonds3

About 6-(4-bromo-2-chloro-5-fluorophenoxy)pyridine-2-carboxylic acid

6-(4-bromo-2-chloro-5-fluorophenoxy)pyridine-2-carboxylic acid (PubChem CID 114270905) has the molecular formula C12H6BrClFNO3 and a molecular weight of 346.54 g/mol. Its IUPAC name is 6-(4-bromo-2-chloro-5-fluorophenoxy)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-(4-bromo-2-chloro-5-fluorophenoxy)pyridine-2-carboxylic acid
PubChem CID114270905
Molecular FormulaC12H6BrClFNO3
Molecular Weight346.54 g/mol
Exact Mass344.92
IUPAC Name6-(4-bromo-2-chloro-5-fluorophenoxy)pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(Oc2cc(F)c(Br)cc2Cl)n1
InChIInChI=1S/C12H6BrClFNO3/c13-6-4-7(14)10(5-8(6)15)19-11-3-1-2-9(16-11)12(17)18/h1-5H,(H,17,18)
InChIKeyKIYNMLFSTZHTKC-UHFFFAOYSA-N
XLogP4.13
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.54
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

6-(2,4-difluorophenoxy)pyridine-2-carboxylic acid
CID 55053506
2-(4-bromo-2,5-dichlorophenoxy)-6-fluorobenzoic acid
CID 107661509
6-(2,6-dibromo-4-nitrophenoxy)pyridine-2-carboxylic acid
CID 62253740
6-(2,6-dimethoxyphenoxy)pyridine-2-carboxylic acid
CID 62255155
3-[6-(2,4-dichlorophenoxy)-2-pyridinyl]-2-fluorobenzoic acid
CID 66858904
2-(4-bromo-2-chlorophenoxy)-6-fluoropyridine
CID 61229160
6-[3-(trifluoromethyl)phenoxy]pyridine-2-carboxylic acid
CID 4271775
6-(5-bromo-2,3-difluorophenoxy)-3-chloropyridine-2-carboxylic acid
CID 107097920
6-(2-chloro-4-fluorophenoxy)pyrimidine-4-carboxylic acid
CID 116820278
2-(4-bromo-2-chloro-5-fluorophenoxy)-6-methylpyridin-3-amine
CID 114270896
2-bromo-6-(4-bromo-2,5-dichlorophenoxy)benzoic acid
CID 107661502
4-chloro-5-[(6-chloro-2-pyridinyl)oxy]-2-fluoroaniline
CID 18402945

Frequently Asked Questions

What is the IUPAC name of 6-(4-bromo-2-chloro-5-fluorophenoxy)pyridine-2-carboxylic acid?
The IUPAC name of 6-(4-bromo-2-chloro-5-fluorophenoxy)pyridine-2-carboxylic acid (CID 114270905) is 6-(4-bromo-2-chloro-5-fluorophenoxy)pyridine-2-carboxylic acid.
What is the SMILES notation for 6-(4-bromo-2-chloro-5-fluorophenoxy)pyridine-2-carboxylic acid?
The canonical SMILES for 6-(4-bromo-2-chloro-5-fluorophenoxy)pyridine-2-carboxylic acid is O=C(O)c1cccc(Oc2cc(F)c(Br)cc2Cl)n1.
What is the InChIKey of 6-(4-bromo-2-chloro-5-fluorophenoxy)pyridine-2-carboxylic acid?
The InChIKey is KIYNMLFSTZHTKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6BrClFNO3/c13-6-4-7(14)10(5-8(6)15)19-11-3-1-2-9(16-11)12(17)18/h1-5H,(H,17,18).
What are the key properties of 6-(4-bromo-2-chloro-5-fluorophenoxy)pyridine-2-carboxylic acid?
6-(4-bromo-2-chloro-5-fluorophenoxy)pyridine-2-carboxylic acid has a molecular weight of 346.54 g/mol, XLogP of 4.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-bromo-2-chloro-5-fluorophenoxy)pyridine-2-carboxylic acid is sourced from PubChem (CID 114270905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).