5-bromo-3-(4-fluoro-2-methylphenoxy)pyridine-2-carboxylic acid

C13H9BrFNO3 — CID 114203062

IUPAC5-bromo-3-(4-fluoro-2-methylphenoxy)pyridine-2-carboxylic acid
SMILESCc1cc(F)ccc1Oc1cc(Br)cnc1C(=O)O
InChIInChI=1S/C13H9BrFNO3/c1-7-4-9(15)2-3-10(7)19-11-5-8(14)6-16-12(11)13(17)18/h2-6H,1H3,(H,17,18)
InChIKeyHQRKABIDSNGFAK-UHFFFAOYSA-N
MW326.12 g/mol
LogP3.78
Rot. Bonds3

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

5-bromo-3-(4-fluoro-2-methylphenoxy)pyridine-2-carboxylic acid (PubChem CID 114203062) has the molecular formula C13H9BrFNO3 and a molecular weight of 326.12 g/mol. Its IUPAC name is 5-bromo-3-(4-fluoro-2-methylphenoxy)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-bromo-3-(4-fluoro-2-methylphenoxy)pyridine-2-carboxylic acid
PubChem CID114203062
Molecular FormulaC13H9BrFNO3
Molecular Weight326.12 g/mol
Exact Mass324.97
IUPAC Name5-bromo-3-(4-fluoro-2-methylphenoxy)pyridine-2-carboxylic acid
SMILESCc1cc(F)ccc1Oc1cc(Br)cnc1C(=O)O
InChIInChI=1S/C13H9BrFNO3/c1-7-4-9(15)2-3-10(7)19-11-5-8(14)6-16-12(11)13(17)18/h2-6H,1H3,(H,17,18)
InChIKeyHQRKABIDSNGFAK-UHFFFAOYSA-N
XLogP3.78
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.12
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-2-fluoro-6-(4-fluoro-2-methylphenoxy)benzoic acid
CID 169097100
3-bromo-8-(4-fluoro-2-methylphenoxy)quinolin-5-amine
CID 106949902
1-[2-(4-bromo-2-methylphenoxy)-5-fluorophenyl]ethanone
CID 63532818
4-bromo-5-(4-fluoro-2-methylphenoxy)-3-methyl-2-(trifluoromethyl)pyridine
CID 169249279
5-bromo-3-(3-ethylphenoxy)pyridine-2-carboxylic acid
CID 114203037
4-bromo-2-(5-fluoro-2-methylphenoxy)benzoic acid
CID 102987538
2-amino-5-(4-fluoro-2-methylphenoxy)pyridine-4-carboxamide
CID 114195706
4-[(5-fluoro-2-pyridinyl)oxy]-3-methylbenzoic acid
CID 107672839
3-(5-bromo-2-fluorophenoxy)pyridine-2-carboxylic acid
CID 114677043
4-fluoro-2-methyl-1-(2-methylphenoxy)benzene
CID 69045546
5-bromo-2-(4-fluoro-2-methylphenyl)pyrimidine-4-carboxylic acid
CID 106512106
5-bromo-2-(4-fluoro-2-methylphenoxy)-N'-hydroxybenzenecarboximidamide
CID 114892801

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-(4-fluoro-2-methylphenoxy)pyridine-2-carboxylic acid?
The IUPAC name of 5-bromo-3-(4-fluoro-2-methylphenoxy)pyridine-2-carboxylic acid (CID 114203062) is 5-bromo-3-(4-fluoro-2-methylphenoxy)pyridine-2-carboxylic acid.
What is the SMILES notation for 5-bromo-3-(4-fluoro-2-methylphenoxy)pyridine-2-carboxylic acid?
The canonical SMILES for 5-bromo-3-(4-fluoro-2-methylphenoxy)pyridine-2-carboxylic acid is Cc1cc(F)ccc1Oc1cc(Br)cnc1C(=O)O.
What is the InChIKey of 5-bromo-3-(4-fluoro-2-methylphenoxy)pyridine-2-carboxylic acid?
The InChIKey is HQRKABIDSNGFAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrFNO3/c1-7-4-9(15)2-3-10(7)19-11-5-8(14)6-16-12(11)13(17)18/h2-6H,1H3,(H,17,18).
What are the key properties of 5-bromo-3-(4-fluoro-2-methylphenoxy)pyridine-2-carboxylic acid?
5-bromo-3-(4-fluoro-2-methylphenoxy)pyridine-2-carboxylic acid has a molecular weight of 326.12 g/mol, XLogP of 3.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-(4-fluoro-2-methylphenoxy)pyridine-2-carboxylic acid is sourced from PubChem (CID 114203062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).