2-(5-fluoro-6-methylpyrimidin-4-yl)oxy-4-methylbenzoic acid

C13H11FN2O3 — CID 114045786

IUPAC2-(5-fluoro-6-methylpyrimidin-4-yl)oxy-4-methylbenzoic acid
SMILESCc1ccc(C(=O)O)c(Oc2ncnc(C)c2F)c1
InChIInChI=1S/C13H11FN2O3/c1-7-3-4-9(13(17)18)10(5-7)19-12-11(14)8(2)15-6-16-12/h3-6H,1-2H3,(H,17,18)
InChIKeyWPDYNFJQAQRPSK-UHFFFAOYSA-N
MW262.24 g/mol
LogP2.72
Rot. Bonds3

About 2-(5-fluoro-6-methylpyrimidin-4-yl)oxy-4-methylbenzoic acid

2-(5-fluoro-6-methylpyrimidin-4-yl)oxy-4-methylbenzoic acid (PubChem CID 114045786) has the molecular formula C13H11FN2O3 and a molecular weight of 262.24 g/mol. Its IUPAC name is 2-(5-fluoro-6-methylpyrimidin-4-yl)oxy-4-methylbenzoic acid.

Molecular Properties

Compound Name2-(5-fluoro-6-methylpyrimidin-4-yl)oxy-4-methylbenzoic acid
PubChem CID114045786
Molecular FormulaC13H11FN2O3
Molecular Weight262.24 g/mol
Exact Mass262.08
IUPAC Name2-(5-fluoro-6-methylpyrimidin-4-yl)oxy-4-methylbenzoic acid
SMILESCc1ccc(C(=O)O)c(Oc2ncnc(C)c2F)c1
InChIInChI=1S/C13H11FN2O3/c1-7-3-4-9(13(17)18)10(5-7)19-12-11(14)8(2)15-6-16-12/h3-6H,1-2H3,(H,17,18)
InChIKeyWPDYNFJQAQRPSK-UHFFFAOYSA-N
XLogP2.72
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.24
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-5-(5-fluoro-6-methylpyrimidin-4-yl)oxybenzoic acid
CID 114045793
4-methyl-2-(7H-purin-6-yloxy)benzoic acid
CID 61395763
4-methyl-2-pyrimidin-2-yloxybenzoic acid
CID 61395843
3-fluoro-2-(5-methyl-2-propan-2-ylphenoxy)pyridine-4-carboxylic acid
CID 105379913
2-(2-fluoro-5-methylphenoxy)-6-methylpyridine-3-carboxylic acid
CID 64856053
2-furo[3,2-c]pyridin-4-yloxy-4-methylbenzoic acid
CID 106535487
2-(2-bromo-4-methylphenoxy)-4-methylbenzoic acid
CID 63513152
2-(4-methoxyphenoxy)-4-methylbenzoic acid
CID 55107428
2-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)oxy]-4-methylbenzoic acid
CID 114585672
2-[(5-bromo-2-pyridinyl)oxy]-4-methylbenzoic acid
CID 61395820
4-methyl-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]oxy]benzoic acid
CID 114450096
6-chloro-2-(2-chloro-5-methylphenoxy)pyridine-3-carboxylic acid
CID 55183255

Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-6-methylpyrimidin-4-yl)oxy-4-methylbenzoic acid?
The IUPAC name of 2-(5-fluoro-6-methylpyrimidin-4-yl)oxy-4-methylbenzoic acid (CID 114045786) is 2-(5-fluoro-6-methylpyrimidin-4-yl)oxy-4-methylbenzoic acid.
What is the SMILES notation for 2-(5-fluoro-6-methylpyrimidin-4-yl)oxy-4-methylbenzoic acid?
The canonical SMILES for 2-(5-fluoro-6-methylpyrimidin-4-yl)oxy-4-methylbenzoic acid is Cc1ccc(C(=O)O)c(Oc2ncnc(C)c2F)c1.
What is the InChIKey of 2-(5-fluoro-6-methylpyrimidin-4-yl)oxy-4-methylbenzoic acid?
The InChIKey is WPDYNFJQAQRPSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN2O3/c1-7-3-4-9(13(17)18)10(5-7)19-12-11(14)8(2)15-6-16-12/h3-6H,1-2H3,(H,17,18).
What are the key properties of 2-(5-fluoro-6-methylpyrimidin-4-yl)oxy-4-methylbenzoic acid?
2-(5-fluoro-6-methylpyrimidin-4-yl)oxy-4-methylbenzoic acid has a molecular weight of 262.24 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-6-methylpyrimidin-4-yl)oxy-4-methylbenzoic acid is sourced from PubChem (CID 114045786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).