6-(2-bromo-4-fluorophenoxy)pyridine-3-carboxylic acid

C12H7BrFNO3 — CID 16784195

IUPAC6-(2-bromo-4-fluorophenoxy)pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(Oc2ccc(F)cc2Br)nc1
InChIInChI=1S/C12H7BrFNO3/c13-9-5-8(14)2-3-10(9)18-11-4-1-7(6-15-11)12(16)17/h1-6H,(H,16,17)
InChIKeyPGPHGIWPCDRYEY-UHFFFAOYSA-N
MW312.09 g/mol
LogP3.47
Rot. Bonds3

About 6-(2-bromo-4-fluorophenoxy)pyridine-3-carboxylic acid

6-(2-bromo-4-fluorophenoxy)pyridine-3-carboxylic acid (PubChem CID 16784195) has the molecular formula C12H7BrFNO3 and a molecular weight of 312.09 g/mol. Its IUPAC name is 6-(2-bromo-4-fluorophenoxy)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-(2-bromo-4-fluorophenoxy)pyridine-3-carboxylic acid
PubChem CID16784195
Molecular FormulaC12H7BrFNO3
Molecular Weight312.09 g/mol
Exact Mass310.96
IUPAC Name6-(2-bromo-4-fluorophenoxy)pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(Oc2ccc(F)cc2Br)nc1
InChIInChI=1S/C12H7BrFNO3/c13-9-5-8(14)2-3-10(9)18-11-4-1-7(6-15-11)12(16)17/h1-6H,(H,16,17)
InChIKeyPGPHGIWPCDRYEY-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

ethyl 6-(2-bromo-4-fluorophenoxy)pyridine-3-carboxylate
CID 24707678
6-(4-fluoro-2-nitrophenoxy)pyridine-3-carboxylic acid
CID 62369990
(E)-3-[6-(2-bromo-4-fluorophenoxy)-3-pyridinyl]prop-2-enoic acid
CID 80632966
6-(2-bromo-4-fluorophenoxy)pyridazine-3-carboxylic acid
CID 54919489
4-[(5-fluoro-2-pyridinyl)oxy]-3-methylbenzoic acid
CID 107672839
2-(2-bromo-4-fluorophenoxy)-5-nitropyridine
CID 24507910
2-[(5-tert-butyl-2-pyridinyl)oxy]-5-fluorobenzoic acid
CID 107875372
5-bromo-2-(2-bromo-4-fluorophenoxy)-4-methylpyridine
CID 114869079
1-[6-(2-bromo-4-methoxyphenoxy)-3-pyridinyl]ethanone
CID 113443679
6-(2-phenylphenoxy)pyridine-3-carboxylic acid
CID 43825428
6-(2-methylsulfonylphenoxy)pyridine-3-carboxylic acid
CID 125498323
6-[2-fluoro-4-(1-methylcyclopropyl)phenoxy]pyridine-3-carboxylic acid
CID 157386377

Frequently Asked Questions

What is the IUPAC name of 6-(2-bromo-4-fluorophenoxy)pyridine-3-carboxylic acid?
The IUPAC name of 6-(2-bromo-4-fluorophenoxy)pyridine-3-carboxylic acid (CID 16784195) is 6-(2-bromo-4-fluorophenoxy)pyridine-3-carboxylic acid.
What is the SMILES notation for 6-(2-bromo-4-fluorophenoxy)pyridine-3-carboxylic acid?
The canonical SMILES for 6-(2-bromo-4-fluorophenoxy)pyridine-3-carboxylic acid is O=C(O)c1ccc(Oc2ccc(F)cc2Br)nc1.
What is the InChIKey of 6-(2-bromo-4-fluorophenoxy)pyridine-3-carboxylic acid?
The InChIKey is PGPHGIWPCDRYEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7BrFNO3/c13-9-5-8(14)2-3-10(9)18-11-4-1-7(6-15-11)12(16)17/h1-6H,(H,16,17).
What are the key properties of 6-(2-bromo-4-fluorophenoxy)pyridine-3-carboxylic acid?
6-(2-bromo-4-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 6-(2-bromo-4-fluorophenoxy)pyridine-3-carboxylic acid is sourced from PubChem (CID 16784195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).