5-[(2-bromo-4-fluorophenyl)methoxy]pyridine-3-carboxylic acid

C13H9BrFNO3 — CID 63850652

IUPAC5-[(2-bromo-4-fluorophenyl)methoxy]pyridine-3-carboxylic acid
SMILESO=C(O)c1cncc(OCc2ccc(F)cc2Br)c1
InChIInChI=1S/C13H9BrFNO3/c14-12-4-10(15)2-1-8(12)7-19-11-3-9(13(17)18)5-16-6-11/h1-6H,7H2,(H,17,18)
InChIKeyCWAGBXZQNQUKKF-UHFFFAOYSA-N
MW326.12 g/mol
LogP3.26
Rot. Bonds4

About 5-[(2-bromo-4-fluorophenyl)methoxy]pyridine-3-carboxylic acid

5-[(2-bromo-4-fluorophenyl)methoxy]pyridine-3-carboxylic acid (PubChem CID 63850652) has the molecular formula C13H9BrFNO3 and a molecular weight of 326.12 g/mol. Its IUPAC name is 5-[(2-bromo-4-fluorophenyl)methoxy]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-[(2-bromo-4-fluorophenyl)methoxy]pyridine-3-carboxylic acid
PubChem CID63850652
Molecular FormulaC13H9BrFNO3
Molecular Weight326.12 g/mol
Exact Mass324.97
IUPAC Name5-[(2-bromo-4-fluorophenyl)methoxy]pyridine-3-carboxylic acid
SMILESO=C(O)c1cncc(OCc2ccc(F)cc2Br)c1
InChIInChI=1S/C13H9BrFNO3/c14-12-4-10(15)2-1-8(12)7-19-11-3-9(13(17)18)5-16-6-11/h1-6H,7H2,(H,17,18)
InChIKeyCWAGBXZQNQUKKF-UHFFFAOYSA-N
XLogP3.26
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.12
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-bromo-4-fluorophenyl)methoxy]pyridine-3-carboxylic acid?
The IUPAC name of 5-[(2-bromo-4-fluorophenyl)methoxy]pyridine-3-carboxylic acid (CID 63850652) is 5-[(2-bromo-4-fluorophenyl)methoxy]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-[(2-bromo-4-fluorophenyl)methoxy]pyridine-3-carboxylic acid?
The canonical SMILES for 5-[(2-bromo-4-fluorophenyl)methoxy]pyridine-3-carboxylic acid is O=C(O)c1cncc(OCc2ccc(F)cc2Br)c1.
What is the InChIKey of 5-[(2-bromo-4-fluorophenyl)methoxy]pyridine-3-carboxylic acid?
The InChIKey is CWAGBXZQNQUKKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrFNO3/c14-12-4-10(15)2-1-8(12)7-19-11-3-9(13(17)18)5-16-6-11/h1-6H,7H2,(H,17,18).
What are the key properties of 5-[(2-bromo-4-fluorophenyl)methoxy]pyridine-3-carboxylic acid?
5-[(2-bromo-4-fluorophenyl)methoxy]pyridine-3-carboxylic acid has a molecular weight of 326.12 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-bromo-4-fluorophenyl)methoxy]pyridine-3-carboxylic acid is sourced from PubChem (CID 63850652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).