2-fluoro-4-(5-methylpyrimidin-2-yl)oxybenzoic acid

C12H9FN2O3 — CID 107677373

IUPAC2-fluoro-4-(5-methylpyrimidin-2-yl)oxybenzoic acid
SMILESCc1cnc(Oc2ccc(C(=O)O)c(F)c2)nc1
InChIInChI=1S/C12H9FN2O3/c1-7-5-14-12(15-6-7)18-8-2-3-9(11(16)17)10(13)4-8/h2-6H,1H3,(H,16,17)
InChIKeyRZPYAEYNNVLARC-UHFFFAOYSA-N
MW248.21 g/mol
LogP2.41
Rot. Bonds3

About 2-fluoro-4-(5-methylpyrimidin-2-yl)oxybenzoic acid

2-fluoro-4-(5-methylpyrimidin-2-yl)oxybenzoic acid (PubChem CID 107677373) has the molecular formula C12H9FN2O3 and a molecular weight of 248.21 g/mol. Its IUPAC name is 2-fluoro-4-(5-methylpyrimidin-2-yl)oxybenzoic acid.

Molecular Properties

Compound Name2-fluoro-4-(5-methylpyrimidin-2-yl)oxybenzoic acid
PubChem CID107677373
Molecular FormulaC12H9FN2O3
Molecular Weight248.21 g/mol
Exact Mass248.06
IUPAC Name2-fluoro-4-(5-methylpyrimidin-2-yl)oxybenzoic acid
SMILESCc1cnc(Oc2ccc(C(=O)O)c(F)c2)nc1
InChIInChI=1S/C12H9FN2O3/c1-7-5-14-12(15-6-7)18-8-2-3-9(11(16)17)10(13)4-8/h2-6H,1H3,(H,16,17)
InChIKeyRZPYAEYNNVLARC-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-fluoro-4-[(5-fluoro-2-pyridinyl)oxy]benzoic acid
CID 107677466
2-fluoro-4-(4-methyl-6-propan-2-ylpyrimidin-2-yl)oxybenzoic acid
CID 107677350
4-[(5-tert-butyl-2-pyridinyl)oxy]-2-fluorobenzoic acid
CID 107875380
3-(5-methylpyrimidin-2-yl)oxynaphthalene-2-carboxylic acid
CID 63206053
2-fluoro-4-quinoxalin-2-yloxybenzoic acid
CID 107677384
4-[(2,5-dimethylphenyl)methoxy]-2-fluorobenzoic acid
CID 107675339
2-fluoro-4-pyrimidin-2-yloxybenzoyl chloride
CID 172533586
2-fluoro-4-pyrimidin-4-yloxybenzoic acid
CID 107677489
4-(5-chloropyrimidin-4-yl)oxy-2-fluorobenzoic acid
CID 107677397
2-fluoro-4-(3-fluorophenoxy)benzoic acid
CID 177076537
2-(5-fluoropyrimidin-2-yl)oxy-5-methylbenzoic acid
CID 104606523
2-fluoro-4-(1-methyltetrazol-5-yl)oxybenzoic acid
CID 107677422

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-(5-methylpyrimidin-2-yl)oxybenzoic acid?
The IUPAC name of 2-fluoro-4-(5-methylpyrimidin-2-yl)oxybenzoic acid (CID 107677373) is 2-fluoro-4-(5-methylpyrimidin-2-yl)oxybenzoic acid.
What is the SMILES notation for 2-fluoro-4-(5-methylpyrimidin-2-yl)oxybenzoic acid?
The canonical SMILES for 2-fluoro-4-(5-methylpyrimidin-2-yl)oxybenzoic acid is Cc1cnc(Oc2ccc(C(=O)O)c(F)c2)nc1.
What is the InChIKey of 2-fluoro-4-(5-methylpyrimidin-2-yl)oxybenzoic acid?
The InChIKey is RZPYAEYNNVLARC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9FN2O3/c1-7-5-14-12(15-6-7)18-8-2-3-9(11(16)17)10(13)4-8/h2-6H,1H3,(H,16,17).
What are the key properties of 2-fluoro-4-(5-methylpyrimidin-2-yl)oxybenzoic acid?
2-fluoro-4-(5-methylpyrimidin-2-yl)oxybenzoic 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-fluoro-4-(5-methylpyrimidin-2-yl)oxybenzoic acid is sourced from PubChem (CID 107677373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).