2-(2-fluoro-3-methoxyphenyl)-1-pyrimidin-5-ylethanone

C13H11FN2O2 — CID 102923229

IUPAC2-(2-fluoro-3-methoxyphenyl)-1-pyrimidin-5-ylethanone
SMILESCOc1cccc(CC(=O)c2cncnc2)c1F
InChIInChI=1S/C13H11FN2O2/c1-18-12-4-2-3-9(13(12)14)5-11(17)10-6-15-8-16-7-10/h2-4,6-8H,5H2,1H3
InChIKeyDOHKOHKRHLQXRP-UHFFFAOYSA-N
MW246.24 g/mol
LogP2.05
Rot. Bonds4

About 2-(2-fluoro-3-methoxyphenyl)-1-pyrimidin-5-ylethanone

2-(2-fluoro-3-methoxyphenyl)-1-pyrimidin-5-ylethanone (PubChem CID 102923229) has the molecular formula C13H11FN2O2 and a molecular weight of 246.24 g/mol. Its IUPAC name is 2-(2-fluoro-3-methoxyphenyl)-1-pyrimidin-5-ylethanone.

Molecular Properties

Compound Name2-(2-fluoro-3-methoxyphenyl)-1-pyrimidin-5-ylethanone
PubChem CID102923229
Molecular FormulaC13H11FN2O2
Molecular Weight246.24 g/mol
Exact Mass246.08
IUPAC Name2-(2-fluoro-3-methoxyphenyl)-1-pyrimidin-5-ylethanone
SMILESCOc1cccc(CC(=O)c2cncnc2)c1F
InChIInChI=1S/C13H11FN2O2/c1-18-12-4-2-3-9(13(12)14)5-11(17)10-6-15-8-16-7-10/h2-4,6-8H,5H2,1H3
InChIKeyDOHKOHKRHLQXRP-UHFFFAOYSA-N
XLogP2.05
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.24
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-fluoro-3-methoxyphenyl)-1-(6-methyl-3-pyridinyl)ethanone
CID 105128433
2-(2-fluoro-3-methoxyphenyl)-1-(4-methoxyphenyl)ethanone
CID 104793354
2-(2-fluoro-3-methoxyphenyl)-1-(3-methoxy-4-pyridinyl)ethanone
CID 105065080
2-(2-fluoro-3-methoxyphenyl)-1-(5-methylpyrimidin-2-yl)ethanone
CID 113453750
2-(2-fluoro-3-methoxyphenyl)-1-(2H-triazol-4-yl)ethanone
CID 104793521
1-(4-ethylsulfanylphenyl)-2-(2-fluoro-3-methoxyphenyl)ethanone
CID 106847880
1-(2-fluoro-3-methoxyphenyl)-3-pyridin-3-ylpropan-2-one
CID 113453730
1-(2-fluoro-3-methoxyphenyl)-3-methoxypropan-2-one
CID 104793398
2-(2-fluoro-3-methoxyphenyl)-1-(2-methylphenyl)ethanone
CID 113453726
1-(3-chloro-4-iodophenyl)-2-(2-fluoro-3-methoxyphenyl)ethanone
CID 103214368
1-(2-aminophenyl)-2-(2-fluoro-3-methoxyphenyl)ethanone
CID 113453735
1-(2,5-difluorophenyl)-2-(2-fluoro-3-methoxyphenyl)ethanone
CID 104793432

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-3-methoxyphenyl)-1-pyrimidin-5-ylethanone?
The IUPAC name of 2-(2-fluoro-3-methoxyphenyl)-1-pyrimidin-5-ylethanone (CID 102923229) is 2-(2-fluoro-3-methoxyphenyl)-1-pyrimidin-5-ylethanone.
What is the SMILES notation for 2-(2-fluoro-3-methoxyphenyl)-1-pyrimidin-5-ylethanone?
The canonical SMILES for 2-(2-fluoro-3-methoxyphenyl)-1-pyrimidin-5-ylethanone is COc1cccc(CC(=O)c2cncnc2)c1F.
What is the InChIKey of 2-(2-fluoro-3-methoxyphenyl)-1-pyrimidin-5-ylethanone?
The InChIKey is DOHKOHKRHLQXRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN2O2/c1-18-12-4-2-3-9(13(12)14)5-11(17)10-6-15-8-16-7-10/h2-4,6-8H,5H2,1H3.
What are the key properties of 2-(2-fluoro-3-methoxyphenyl)-1-pyrimidin-5-ylethanone?
2-(2-fluoro-3-methoxyphenyl)-1-pyrimidin-5-ylethanone has a molecular weight of 246.24 g/mol, XLogP of 2.05, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-3-methoxyphenyl)-1-pyrimidin-5-ylethanone is sourced from PubChem (CID 102923229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).