2-(5-fluoro-2-methylphenoxy)pyrimidine-4-carboxylic acid

C12H9FN2O3 — CID 107555050

IUPAC2-(5-fluoro-2-methylphenoxy)pyrimidine-4-carboxylic acid
SMILESCc1ccc(F)cc1Oc1nccc(C(=O)O)n1
InChIInChI=1S/C12H9FN2O3/c1-7-2-3-8(13)6-10(7)18-12-14-5-4-9(15-12)11(16)17/h2-6H,1H3,(H,16,17)
InChIKeyLYEIDSMWYWHOSX-UHFFFAOYSA-N
MW248.21 g/mol
LogP2.41
Rot. Bonds3

About 2-(5-fluoro-2-methylphenoxy)pyrimidine-4-carboxylic acid

2-(5-fluoro-2-methylphenoxy)pyrimidine-4-carboxylic acid (PubChem CID 107555050) has the molecular formula C12H9FN2O3 and a molecular weight of 248.21 g/mol. Its IUPAC name is 2-(5-fluoro-2-methylphenoxy)pyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name2-(5-fluoro-2-methylphenoxy)pyrimidine-4-carboxylic acid
PubChem CID107555050
Molecular FormulaC12H9FN2O3
Molecular Weight248.21 g/mol
Exact Mass248.06
IUPAC Name2-(5-fluoro-2-methylphenoxy)pyrimidine-4-carboxylic acid
SMILESCc1ccc(F)cc1Oc1nccc(C(=O)O)n1
InChIInChI=1S/C12H9FN2O3/c1-7-2-3-8(13)6-10(7)18-12-14-5-4-9(15-12)11(16)17/h2-6H,1H3,(H,16,17)
InChIKeyLYEIDSMWYWHOSX-UHFFFAOYSA-N
XLogP2.41
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.21
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chloro-2,6-dimethylphenoxy)pyrimidine-4-carboxylic acid
CID 107554749
2-(2-tert-butyl-5-methylphenoxy)pyrimidine-4-carboxylic acid
CID 107554641
4-methyl-3-(4-methylpyrimidin-2-yl)oxybenzoic acid
CID 62960017
2-(3,5-dimethoxyphenoxy)pyrimidine-4-carboxylic acid
CID 107554624
3-(5-fluoropyrimidin-2-yl)oxy-4-methylbenzoic acid
CID 113432161
3-(5-fluoro-2-methylphenoxy)pyridazine-4-carboxylic acid
CID 102987529
4-(5-fluoro-2-methylphenoxy)-2,6-dimethylpyridine-3-carboxylic acid
CID 102987550
2-(5-fluoro-2-methylphenoxy)-6-methylpyrimidine-4-carbothioamide
CID 107548744
2-[4-(hydroxymethyl)-2-methoxyphenoxy]pyrimidine-4-carboxylic acid
CID 107744872
2-(2-chloro-5-fluorophenoxy)pyrimidine-4-carbothioamide
CID 114264252
2-(4-methoxy-2-nitrophenoxy)pyrimidine-4-carboxylic acid
CID 107554877
2-(4-fluoro-2-methylphenoxy)pyrimidin-4-amine
CID 116797992

Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-2-methylphenoxy)pyrimidine-4-carboxylic acid?
The IUPAC name of 2-(5-fluoro-2-methylphenoxy)pyrimidine-4-carboxylic acid (CID 107555050) is 2-(5-fluoro-2-methylphenoxy)pyrimidine-4-carboxylic acid.
What is the SMILES notation for 2-(5-fluoro-2-methylphenoxy)pyrimidine-4-carboxylic acid?
The canonical SMILES for 2-(5-fluoro-2-methylphenoxy)pyrimidine-4-carboxylic acid is Cc1ccc(F)cc1Oc1nccc(C(=O)O)n1.
What is the InChIKey of 2-(5-fluoro-2-methylphenoxy)pyrimidine-4-carboxylic acid?
The InChIKey is LYEIDSMWYWHOSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9FN2O3/c1-7-2-3-8(13)6-10(7)18-12-14-5-4-9(15-12)11(16)17/h2-6H,1H3,(H,16,17).
What are the key properties of 2-(5-fluoro-2-methylphenoxy)pyrimidine-4-carboxylic acid?
2-(5-fluoro-2-methylphenoxy)pyrimidine-4-carboxylic acid has a molecular weight of 248.21 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-2-methylphenoxy)pyrimidine-4-carboxylic acid is sourced from PubChem (CID 107555050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).