1-(2-fluoro-3-methoxyphenyl)-2-pyridin-4-ylethanone

C14H12FNO2 — CID 82808484

IUPAC1-(2-fluoro-3-methoxyphenyl)-2-pyridin-4-ylethanone
SMILESCOc1cccc(C(=O)Cc2ccncc2)c1F
InChIInChI=1S/C14H12FNO2/c1-18-13-4-2-3-11(14(13)15)12(17)9-10-5-7-16-8-6-10/h2-8H,9H2,1H3
InChIKeyFLAVAMPUKQCFFG-UHFFFAOYSA-N
MW245.25 g/mol
LogP2.65
Rot. Bonds4

About 1-(2-fluoro-3-methoxyphenyl)-2-pyridin-4-ylethanone

1-(2-fluoro-3-methoxyphenyl)-2-pyridin-4-ylethanone (PubChem CID 82808484) has the molecular formula C14H12FNO2 and a molecular weight of 245.25 g/mol. Its IUPAC name is 1-(2-fluoro-3-methoxyphenyl)-2-pyridin-4-ylethanone.

Molecular Properties

Compound Name1-(2-fluoro-3-methoxyphenyl)-2-pyridin-4-ylethanone
PubChem CID82808484
Molecular FormulaC14H12FNO2
Molecular Weight245.25 g/mol
Exact Mass245.09
IUPAC Name1-(2-fluoro-3-methoxyphenyl)-2-pyridin-4-ylethanone
SMILESCOc1cccc(C(=O)Cc2ccncc2)c1F
InChIInChI=1S/C14H12FNO2/c1-18-13-4-2-3-11(14(13)15)12(17)9-10-5-7-16-8-6-10/h2-8H,9H2,1H3
InChIKeyFLAVAMPUKQCFFG-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

1-(2-fluoro-3-methoxyphenyl)-2-(4-methylphenyl)ethanone
CID 82808065
2-(2-fluoro-3-methoxyphenyl)-1-(3-methoxy-4-pyridinyl)ethanone
CID 105065080
bis(2-fluoro-3-methoxyphenyl)methanone
CID 70479796
3-bromo-1-(2-fluoro-3-methoxyphenyl)propan-1-one
CID 134658322
2-[4-[2-(2-methoxyphenyl)-2-oxoethyl]phenyl]acetic acid
CID 158147821
2-(3,5-difluorophenyl)-1-(2,3-dimethoxyphenyl)ethanone
CID 105412160
1-(2-fluoro-3-methoxyphenyl)-4-pyridin-4-ylbutan-2-ol
CID 105125656
2-ethyl-1-(2-fluoro-3-methoxyphenyl)butan-1-one
CID 115792771
2-(2-fluoro-3-methoxyphenyl)-1-(2-methylphenyl)ethanone
CID 113453726
1-(3-methoxyphenyl)-2-pyridin-4-ylethanone
CID 11276228
1-(2,3-dimethoxyphenyl)-2-(4-methylphenyl)ethanone
CID 61079926
1-(2-fluoro-3-methoxyphenyl)prop-2-en-1-one
CID 103453675

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-3-methoxyphenyl)-2-pyridin-4-ylethanone?
The IUPAC name of 1-(2-fluoro-3-methoxyphenyl)-2-pyridin-4-ylethanone (CID 82808484) is 1-(2-fluoro-3-methoxyphenyl)-2-pyridin-4-ylethanone.
What is the SMILES notation for 1-(2-fluoro-3-methoxyphenyl)-2-pyridin-4-ylethanone?
The canonical SMILES for 1-(2-fluoro-3-methoxyphenyl)-2-pyridin-4-ylethanone is COc1cccc(C(=O)Cc2ccncc2)c1F.
What is the InChIKey of 1-(2-fluoro-3-methoxyphenyl)-2-pyridin-4-ylethanone?
The InChIKey is FLAVAMPUKQCFFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FNO2/c1-18-13-4-2-3-11(14(13)15)12(17)9-10-5-7-16-8-6-10/h2-8H,9H2,1H3.
What are the key properties of 1-(2-fluoro-3-methoxyphenyl)-2-pyridin-4-ylethanone?
1-(2-fluoro-3-methoxyphenyl)-2-pyridin-4-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-(2-fluoro-3-methoxyphenyl)-2-pyridin-4-ylethanone is sourced from PubChem (CID 82808484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).