1-(5-fluoro-2-methoxyphenyl)-2-pyridin-2-ylethanone

C14H12FNO2 — CID 82769914

IUPAC1-(5-fluoro-2-methoxyphenyl)-2-pyridin-2-ylethanone
SMILESCOc1ccc(F)cc1C(=O)Cc1ccccn1
InChIInChI=1S/C14H12FNO2/c1-18-14-6-5-10(15)8-12(14)13(17)9-11-4-2-3-7-16-11/h2-8H,9H2,1H3
InChIKeyHQOZXYBGABUDKC-UHFFFAOYSA-N
MW245.25 g/mol
LogP2.65
Rot. Bonds4

About 1-(5-fluoro-2-methoxyphenyl)-2-pyridin-2-ylethanone

1-(5-fluoro-2-methoxyphenyl)-2-pyridin-2-ylethanone (PubChem CID 82769914) has the molecular formula C14H12FNO2 and a molecular weight of 245.25 g/mol. Its IUPAC name is 1-(5-fluoro-2-methoxyphenyl)-2-pyridin-2-ylethanone.

Molecular Properties

Compound Name1-(5-fluoro-2-methoxyphenyl)-2-pyridin-2-ylethanone
PubChem CID82769914
Molecular FormulaC14H12FNO2
Molecular Weight245.25 g/mol
Exact Mass245.09
IUPAC Name1-(5-fluoro-2-methoxyphenyl)-2-pyridin-2-ylethanone
SMILESCOc1ccc(F)cc1C(=O)Cc1ccccn1
InChIInChI=1S/C14H12FNO2/c1-18-14-6-5-10(15)8-12(14)13(17)9-11-4-2-3-7-16-11/h2-8H,9H2,1H3
InChIKeyHQOZXYBGABUDKC-UHFFFAOYSA-N
XLogP2.65
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.25
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(5-fluoro-2-methoxyphenyl)-pyridin-2-ylmethanone
CID 79022615
2-amino-1-(5-fluoro-2-methoxyphenyl)ethanone
CID 79002350
1-(5-fluoro-2-methoxyphenyl)-2-(3-methoxyphenyl)ethanone
CID 43161531
1-(5-fluoro-2-methylphenyl)-3-pyridin-2-ylpropan-2-one
CID 105373164
[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] 2-methoxybenzoate
CID 40565888
N-[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl]-2-methylpropanamide
CID 94270193
1-(3-methoxythiophen-2-yl)-2-pyridin-2-ylethanone
CID 81122055
1-(5-fluoro-2-methoxyphenyl)-3-pyridin-2-ylpropan-1-ol
CID 105122398
1-(5-fluoro-2-methoxyphenyl)-3-methylbutan-1-one
CID 43161544
[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] 3,3-diphenylpropanoate
CID 16611351
1-(2,5-difluoro-3-nitrophenyl)-2-pyridin-2-ylethanone
CID 107122512
1-(2-chloro-4-methylphenyl)-2-pyridin-2-ylethanone
CID 106861656

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-methoxyphenyl)-2-pyridin-2-ylethanone?
The IUPAC name of 1-(5-fluoro-2-methoxyphenyl)-2-pyridin-2-ylethanone (CID 82769914) is 1-(5-fluoro-2-methoxyphenyl)-2-pyridin-2-ylethanone.
What is the SMILES notation for 1-(5-fluoro-2-methoxyphenyl)-2-pyridin-2-ylethanone?
The canonical SMILES for 1-(5-fluoro-2-methoxyphenyl)-2-pyridin-2-ylethanone is COc1ccc(F)cc1C(=O)Cc1ccccn1.
What is the InChIKey of 1-(5-fluoro-2-methoxyphenyl)-2-pyridin-2-ylethanone?
The InChIKey is HQOZXYBGABUDKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FNO2/c1-18-14-6-5-10(15)8-12(14)13(17)9-11-4-2-3-7-16-11/h2-8H,9H2,1H3.
What are the key properties of 1-(5-fluoro-2-methoxyphenyl)-2-pyridin-2-ylethanone?
1-(5-fluoro-2-methoxyphenyl)-2-pyridin-2-ylethanone has a molecular weight of 245.25 g/mol, XLogP of 2.65, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-methoxyphenyl)-2-pyridin-2-ylethanone is sourced from PubChem (CID 82769914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).