2-[2-(3-fluorophenyl)-4-methoxypyrimidin-5-yl]acetic acid

C13H11FN2O3 — CID 117225482

IUPAC2-[2-(3-fluorophenyl)-4-methoxypyrimidin-5-yl]acetic acid
SMILESCOc1nc(-c2cccc(F)c2)ncc1CC(=O)O
InChIInChI=1S/C13H11FN2O3/c1-19-13-9(6-11(17)18)7-15-12(16-13)8-3-2-4-10(14)5-8/h2-5,7H,6H2,1H3,(H,17,18)
InChIKeyHUCMCMWAIOCANM-UHFFFAOYSA-N
MW262.24 g/mol
LogP1.92
Rot. Bonds4

About 2-[2-(3-fluorophenyl)-4-methoxypyrimidin-5-yl]acetic acid

2-[2-(3-fluorophenyl)-4-methoxypyrimidin-5-yl]acetic acid (PubChem CID 117225482) has the molecular formula C13H11FN2O3 and a molecular weight of 262.24 g/mol. Its IUPAC name is 2-[2-(3-fluorophenyl)-4-methoxypyrimidin-5-yl]acetic acid.

Molecular Properties

Compound Name2-[2-(3-fluorophenyl)-4-methoxypyrimidin-5-yl]acetic acid
PubChem CID117225482
Molecular FormulaC13H11FN2O3
Molecular Weight262.24 g/mol
Exact Mass262.08
IUPAC Name2-[2-(3-fluorophenyl)-4-methoxypyrimidin-5-yl]acetic acid
SMILESCOc1nc(-c2cccc(F)c2)ncc1CC(=O)O
InChIInChI=1S/C13H11FN2O3/c1-19-13-9(6-11(17)18)7-15-12(16-13)8-3-2-4-10(14)5-8/h2-5,7H,6H2,1H3,(H,17,18)
InChIKeyHUCMCMWAIOCANM-UHFFFAOYSA-N
XLogP1.92
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.24
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-methoxy-2-(3-methoxyphenyl)pyrimidin-5-yl]acetic acid
CID 117225486
5-(3-fluorophenyl)-2-methoxypyridine-3-carboxylic acid
CID 46314070
2-[4,6-diethyl-2-(3-fluorophenyl)pyrimidin-5-yl]acetic acid
CID 79219332
3-[2-(3-fluorophenyl)pyrimidin-5-yl]propanoic acid
CID 82384666
ethyl 4-(difluoromethyl)-2-(3-fluorophenyl)pyrimidine-5-carboxylate
CID 102973187
3-[2-(2-fluorophenyl)-4-methoxypyrimidin-5-yl]propanoic acid
CID 117225530
2-[3-fluoro-5-(3-fluorophenyl)-2-pyridinyl]acetic acid
CID 46314266
2-[2-(3-fluorophenyl)-6-oxo-1H-pyrimidin-5-yl]acetic acid
CID 46948710
2-[2-(3-fluorophenyl)-3-pyridinyl]acetic acid
CID 117001575
2-[4-(3-fluorophenyl)-2-pyridinyl]acetic acid
CID 46314293
2-[3-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]phenyl]acetic acid
CID 167442844
1-[2-(3-fluorophenyl)-4-methoxy-1,3-thiazol-5-yl]-3-methylbutan-1-one
CID 118609241

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-fluorophenyl)-4-methoxypyrimidin-5-yl]acetic acid?
The IUPAC name of 2-[2-(3-fluorophenyl)-4-methoxypyrimidin-5-yl]acetic acid (CID 117225482) is 2-[2-(3-fluorophenyl)-4-methoxypyrimidin-5-yl]acetic acid.
What is the SMILES notation for 2-[2-(3-fluorophenyl)-4-methoxypyrimidin-5-yl]acetic acid?
The canonical SMILES for 2-[2-(3-fluorophenyl)-4-methoxypyrimidin-5-yl]acetic acid is COc1nc(-c2cccc(F)c2)ncc1CC(=O)O.
What is the InChIKey of 2-[2-(3-fluorophenyl)-4-methoxypyrimidin-5-yl]acetic acid?
The InChIKey is HUCMCMWAIOCANM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN2O3/c1-19-13-9(6-11(17)18)7-15-12(16-13)8-3-2-4-10(14)5-8/h2-5,7H,6H2,1H3,(H,17,18).
What are the key properties of 2-[2-(3-fluorophenyl)-4-methoxypyrimidin-5-yl]acetic acid?
2-[2-(3-fluorophenyl)-4-methoxypyrimidin-5-yl]acetic acid has a molecular weight of 262.24 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-fluorophenyl)-4-methoxypyrimidin-5-yl]acetic acid is sourced from PubChem (CID 117225482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).