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

C13H9BrFNO3 — CID 81446134

IUPAC3-[(2-bromo-5-fluorophenyl)methoxy]pyridine-4-carboxylic acid
SMILESO=C(O)c1ccncc1OCc1cc(F)ccc1Br
InChIInChI=1S/C13H9BrFNO3/c14-11-2-1-9(15)5-8(11)7-19-12-6-16-4-3-10(12)13(17)18/h1-6H,7H2,(H,17,18)
InChIKeyBOBWFNFDAHVJPM-UHFFFAOYSA-N
MW326.12 g/mol
LogP3.26
Rot. Bonds4

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

3-[(2-bromo-5-fluorophenyl)methoxy]pyridine-4-carboxylic acid (PubChem CID 81446134) has the molecular formula C13H9BrFNO3 and a molecular weight of 326.12 g/mol. Its IUPAC name is 3-[(2-bromo-5-fluorophenyl)methoxy]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-[(2-bromo-5-fluorophenyl)methoxy]pyridine-4-carboxylic acid
PubChem CID81446134
Molecular FormulaC13H9BrFNO3
Molecular Weight326.12 g/mol
Exact Mass324.97
IUPAC Name3-[(2-bromo-5-fluorophenyl)methoxy]pyridine-4-carboxylic acid
SMILESO=C(O)c1ccncc1OCc1cc(F)ccc1Br
InChIInChI=1S/C13H9BrFNO3/c14-11-2-1-9(15)5-8(11)7-19-12-6-16-4-3-10(12)13(17)18/h1-6H,7H2,(H,17,18)
InChIKeyBOBWFNFDAHVJPM-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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Related Compounds

3-[(2,5-difluorophenyl)methoxy]pyridine-4-carboxylic acid
CID 81446392
2-[(2-bromo-5-fluorophenyl)methoxy]benzoic acid
CID 24699873
3-[(5-fluoro-2-nitrophenyl)methoxy]pyridine-4-carboxylic acid
CID 81438798
3-[(3-bromo-5-fluorophenyl)methoxy]pyridine-4-carboxylic acid
CID 81446135
2-[(2-bromo-5-methoxyphenyl)methoxy]-4-fluorobenzoic acid
CID 107014577
3-[(4-bromophenyl)methoxy]pyridine-4-carboxylic acid
CID 81446238
3-[(2-ethoxyphenyl)methoxy]pyridine-4-carboxylic acid
CID 81445971
4-[(2-bromo-5-fluorophenyl)methoxy]-2-methylbenzoic acid
CID 107671314
2-[(2-bromo-4-fluorophenoxy)methyl]-5-fluorobenzoic acid
CID 63292656
3-[(3-fluoro-2-pyridinyl)methoxy]pyridine-4-carboxylic acid
CID 175485081
3-[(5-bromofuran-2-yl)methoxy]pyridine-4-carboxylic acid
CID 81445559
3-(3-fluoropropoxy)pyridine-4-carboxylic acid
CID 81446128

Frequently Asked Questions

What is the IUPAC name of 3-[(2-bromo-5-fluorophenyl)methoxy]pyridine-4-carboxylic acid?
The IUPAC name of 3-[(2-bromo-5-fluorophenyl)methoxy]pyridine-4-carboxylic acid (CID 81446134) is 3-[(2-bromo-5-fluorophenyl)methoxy]pyridine-4-carboxylic acid.
What is the SMILES notation for 3-[(2-bromo-5-fluorophenyl)methoxy]pyridine-4-carboxylic acid?
The canonical SMILES for 3-[(2-bromo-5-fluorophenyl)methoxy]pyridine-4-carboxylic acid is O=C(O)c1ccncc1OCc1cc(F)ccc1Br.
What is the InChIKey of 3-[(2-bromo-5-fluorophenyl)methoxy]pyridine-4-carboxylic acid?
The InChIKey is BOBWFNFDAHVJPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrFNO3/c14-11-2-1-9(15)5-8(11)7-19-12-6-16-4-3-10(12)13(17)18/h1-6H,7H2,(H,17,18).
What are the key properties of 3-[(2-bromo-5-fluorophenyl)methoxy]pyridine-4-carboxylic acid?
3-[(2-bromo-5-fluorophenyl)methoxy]pyridine-4-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 3-[(2-bromo-5-fluorophenyl)methoxy]pyridine-4-carboxylic acid is sourced from PubChem (CID 81446134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).