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

C12H7BrFNO3 — CID 114672079

IUPAC4-(5-bromo-2-fluorophenoxy)pyridine-3-carboxylic acid
SMILESO=C(O)c1cnccc1Oc1cc(Br)ccc1F
InChIInChI=1S/C12H7BrFNO3/c13-7-1-2-9(14)11(5-7)18-10-3-4-15-6-8(10)12(16)17/h1-6H,(H,16,17)
InChIKeyJMHUVVOBUUDWML-UHFFFAOYSA-N
MW312.09 g/mol
LogP3.47
Rot. Bonds3

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

4-(5-bromo-2-fluorophenoxy)pyridine-3-carboxylic acid (PubChem CID 114672079) has the molecular formula C12H7BrFNO3 and a molecular weight of 312.09 g/mol. Its IUPAC name is 4-(5-bromo-2-fluorophenoxy)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-(5-bromo-2-fluorophenoxy)pyridine-3-carboxylic acid
PubChem CID114672079
Molecular FormulaC12H7BrFNO3
Molecular Weight312.09 g/mol
Exact Mass310.96
IUPAC Name4-(5-bromo-2-fluorophenoxy)pyridine-3-carboxylic acid
SMILESO=C(O)c1cnccc1Oc1cc(Br)ccc1F
InChIInChI=1S/C12H7BrFNO3/c13-7-1-2-9(14)11(5-7)18-10-3-4-15-6-8(10)12(16)17/h1-6H,(H,16,17)
InChIKeyJMHUVVOBUUDWML-UHFFFAOYSA-N
XLogP3.47
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.09
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-2-[(3-chloro-4-pyridinyl)oxy]benzoic acid
CID 113434920
3-(5-bromo-2-fluorophenoxy)pyridine-4-carbothioamide
CID 114672471
2-[(3-bromo-4-pyridinyl)oxy]-5-chlorobenzoic acid
CID 113452226
3-(5-bromo-2-fluorophenoxy)pyridine-2-carboxylic acid
CID 114677043
4-(4-fluorophenoxy)pyridine-3-carboxylic acid
CID 81229679
5-bromo-2-(4-bromo-2-carboxyphenoxy)benzoic acid
CID 54758731
4-(3,5-dichlorophenoxy)pyridine-3-carboxylic acid
CID 81225523
5-bromo-2-[(5-bromo-3-fluoro-2-pyridinyl)oxy]benzoic acid
CID 114046913
6-(5-bromo-2-fluorophenoxy)isoquinolin-5-amine
CID 106948740
4-fluoropyridine-3-carboxylic acid
CID 2762936
6-(5-bromo-2-fluorophenoxy)pyridazine-3-carboxylic acid
CID 114672035
2-(4-bromo-2-chlorophenoxy)-5-chlorobenzoic acid
CID 63459250

Frequently Asked Questions

What is the IUPAC name of 4-(5-bromo-2-fluorophenoxy)pyridine-3-carboxylic acid?
The IUPAC name of 4-(5-bromo-2-fluorophenoxy)pyridine-3-carboxylic acid (CID 114672079) is 4-(5-bromo-2-fluorophenoxy)pyridine-3-carboxylic acid.
What is the SMILES notation for 4-(5-bromo-2-fluorophenoxy)pyridine-3-carboxylic acid?
The canonical SMILES for 4-(5-bromo-2-fluorophenoxy)pyridine-3-carboxylic acid is O=C(O)c1cnccc1Oc1cc(Br)ccc1F.
What is the InChIKey of 4-(5-bromo-2-fluorophenoxy)pyridine-3-carboxylic acid?
The InChIKey is JMHUVVOBUUDWML-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7BrFNO3/c13-7-1-2-9(14)11(5-7)18-10-3-4-15-6-8(10)12(16)17/h1-6H,(H,16,17).
What are the key properties of 4-(5-bromo-2-fluorophenoxy)pyridine-3-carboxylic acid?
4-(5-bromo-2-fluorophenoxy)pyridine-3-carboxylic acid has a molecular weight of 312.09 g/mol, XLogP of 3.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-bromo-2-fluorophenoxy)pyridine-3-carboxylic acid is sourced from PubChem (CID 114672079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).