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

C12H7BrFNO3 — CID 65203992

IUPAC2-(4-bromo-3-fluorophenoxy)pyridine-3-carboxylic acid
SMILESO=C(O)c1cccnc1Oc1ccc(Br)c(F)c1
InChIInChI=1S/C12H7BrFNO3/c13-9-4-3-7(6-10(9)14)18-11-8(12(16)17)2-1-5-15-11/h1-6H,(H,16,17)
InChIKeyFUBPBZPUPAQLGP-UHFFFAOYSA-N
MW312.09 g/mol
LogP3.47
Rot. Bonds3

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

2-(4-bromo-3-fluorophenoxy)pyridine-3-carboxylic acid (PubChem CID 65203992) has the molecular formula C12H7BrFNO3 and a molecular weight of 312.09 g/mol. Its IUPAC name is 2-(4-bromo-3-fluorophenoxy)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(4-bromo-3-fluorophenoxy)pyridine-3-carboxylic acid
PubChem CID65203992
Molecular FormulaC12H7BrFNO3
Molecular Weight312.09 g/mol
Exact Mass310.96
IUPAC Name2-(4-bromo-3-fluorophenoxy)pyridine-3-carboxylic acid
SMILESO=C(O)c1cccnc1Oc1ccc(Br)c(F)c1
InChIInChI=1S/C12H7BrFNO3/c13-9-4-3-7(6-10(9)14)18-11-8(12(16)17)2-1-5-15-11/h1-6H,(H,16,17)
InChIKeyFUBPBZPUPAQLGP-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

2-(4-fluorophenoxy)pyridine-3-carboxylic acid
CID 605123
2-naphthalen-2-yloxypyridine-3-carboxylic acid
CID 16784651
2-(4-chlorophenoxy)pyridine-3-carboxylic acid
CID 609454
2-bromo-4-(4-bromo-3-fluorophenoxy)benzoic acid
CID 107282562
2-(3-carbamoylphenoxy)pyridine-3-carboxylic acid
CID 24704749
2-(1,3-benzoxazol-6-yloxy)pyridine-3-carboxylic acid
CID 22612359
2-(3-bromo-4-fluorophenoxy)-3-chloropyridine-4-carboxylic acid
CID 107063604
2-[(4-bromo-3-fluorobenzoyl)amino]pyridine-3-carboxylic acid
CID 63653566
2-(3-acetamidophenoxy)pyridine-3-carboxylic acid
CID 22612378
5-(4-bromo-3-fluorophenoxy)-2-nitrobenzoic acid
CID 65203349
2-(4-propanoylphenoxy)pyridine-3-carboxylic acid
CID 45422631
2-(4-bromo-3-fluorophenoxy)-4,6-dimethylpyridine-3-carboxylic acid
CID 65203397

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-3-fluorophenoxy)pyridine-3-carboxylic acid?
The IUPAC name of 2-(4-bromo-3-fluorophenoxy)pyridine-3-carboxylic acid (CID 65203992) is 2-(4-bromo-3-fluorophenoxy)pyridine-3-carboxylic acid.
What is the SMILES notation for 2-(4-bromo-3-fluorophenoxy)pyridine-3-carboxylic acid?
The canonical SMILES for 2-(4-bromo-3-fluorophenoxy)pyridine-3-carboxylic acid is O=C(O)c1cccnc1Oc1ccc(Br)c(F)c1.
What is the InChIKey of 2-(4-bromo-3-fluorophenoxy)pyridine-3-carboxylic acid?
The InChIKey is FUBPBZPUPAQLGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7BrFNO3/c13-9-4-3-7(6-10(9)14)18-11-8(12(16)17)2-1-5-15-11/h1-6H,(H,16,17).
What are the key properties of 2-(4-bromo-3-fluorophenoxy)pyridine-3-carboxylic acid?
2-(4-bromo-3-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 2-(4-bromo-3-fluorophenoxy)pyridine-3-carboxylic acid is sourced from PubChem (CID 65203992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).