5-(4-bromo-2-chlorophenoxy)pyridine-3-carboxylic acid

C12H7BrClNO3 — CID 113469480

IUPAC5-(4-bromo-2-chlorophenoxy)pyridine-3-carboxylic acid
SMILESO=C(O)c1cncc(Oc2ccc(Br)cc2Cl)c1
InChIInChI=1S/C12H7BrClNO3/c13-8-1-2-11(10(14)4-8)18-9-3-7(12(16)17)5-15-6-9/h1-6H,(H,16,17)
InChIKeyHNUWXOHMBRBEMI-UHFFFAOYSA-N
MW328.55 g/mol
LogP3.99
Rot. Bonds3

About 5-(4-bromo-2-chlorophenoxy)pyridine-3-carboxylic acid

5-(4-bromo-2-chlorophenoxy)pyridine-3-carboxylic acid (PubChem CID 113469480) has the molecular formula C12H7BrClNO3 and a molecular weight of 328.55 g/mol. Its IUPAC name is 5-(4-bromo-2-chlorophenoxy)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-(4-bromo-2-chlorophenoxy)pyridine-3-carboxylic acid
PubChem CID113469480
Molecular FormulaC12H7BrClNO3
Molecular Weight328.55 g/mol
Exact Mass326.93
IUPAC Name5-(4-bromo-2-chlorophenoxy)pyridine-3-carboxylic acid
SMILESO=C(O)c1cncc(Oc2ccc(Br)cc2Cl)c1
InChIInChI=1S/C12H7BrClNO3/c13-8-1-2-11(10(14)4-8)18-9-3-7(12(16)17)5-15-6-9/h1-6H,(H,16,17)
InChIKeyHNUWXOHMBRBEMI-UHFFFAOYSA-N
XLogP3.99
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.55
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(4-bromo-2-nitrophenoxy)pyridine-3-carboxylic acid
CID 63852232
5-amino-6-(4-bromo-2-chlorophenoxy)pyridine-3-carboxylic acid
CID 81440012
5-(4-chloro-3-fluorophenoxy)pyridine-3-carboxylic acid
CID 113469493
(E)-3-[4-[(5-bromo-3-pyridinyl)oxy]-3-chlorophenyl]prop-2-enoic acid
CID 81154684
2-(4-bromo-2-chlorophenoxy)-6-chloropyrazine
CID 60707984
2-(4-bromo-2-chlorophenoxy)-5-chlorobenzoic acid
CID 63459250
3-chloro-4-pyridin-4-yloxybenzoic acid;hydrochloride
CID 54593353
5-bromo-2-[(3-chloro-4-pyridinyl)oxy]benzoic acid
CID 113434920
5-(7-chloroquinolin-4-yl)oxypyridine-3-carboxylic acid
CID 63852058
3-bromo-5-[(5-bromo-3-pyridinyl)oxy]benzoic acid
CID 102823683
5-(5-chloro-2-methyl-4-nitrophenoxy)pyridine-3-carboxylic acid
CID 115556226
5-[(4-bromo-2-chlorophenyl)carbamoylamino]pyridine-3-carboxylic acid
CID 63158172

Frequently Asked Questions

What is the IUPAC name of 5-(4-bromo-2-chlorophenoxy)pyridine-3-carboxylic acid?
The IUPAC name of 5-(4-bromo-2-chlorophenoxy)pyridine-3-carboxylic acid (CID 113469480) is 5-(4-bromo-2-chlorophenoxy)pyridine-3-carboxylic acid.
What is the SMILES notation for 5-(4-bromo-2-chlorophenoxy)pyridine-3-carboxylic acid?
The canonical SMILES for 5-(4-bromo-2-chlorophenoxy)pyridine-3-carboxylic acid is O=C(O)c1cncc(Oc2ccc(Br)cc2Cl)c1.
What is the InChIKey of 5-(4-bromo-2-chlorophenoxy)pyridine-3-carboxylic acid?
The InChIKey is HNUWXOHMBRBEMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7BrClNO3/c13-8-1-2-11(10(14)4-8)18-9-3-7(12(16)17)5-15-6-9/h1-6H,(H,16,17).
What are the key properties of 5-(4-bromo-2-chlorophenoxy)pyridine-3-carboxylic acid?
5-(4-bromo-2-chlorophenoxy)pyridine-3-carboxylic acid has a molecular weight of 328.55 g/mol, XLogP of 3.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromo-2-chlorophenoxy)pyridine-3-carboxylic acid is sourced from PubChem (CID 113469480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).