1-[4-fluoro-3-(4-methyl-2-pyridinyl)phenyl]ethanone

C14H12FNO — CID 177459934

IUPAC1-[4-fluoro-3-(4-methyl-2-pyridinyl)phenyl]ethanone
SMILESCC(=O)c1ccc(F)c(-c2cc(C)ccn2)c1
InChIInChI=1S/C14H12FNO/c1-9-5-6-16-14(7-9)12-8-11(10(2)17)3-4-13(12)15/h3-8H,1-2H3
InChIKeyGJLVJGDPWRPQKZ-UHFFFAOYSA-N
MW229.25 g/mol
LogP3.40
Rot. Bonds2

About 1-[4-fluoro-3-(4-methyl-2-pyridinyl)phenyl]ethanone

1-[4-fluoro-3-(4-methyl-2-pyridinyl)phenyl]ethanone (PubChem CID 177459934) has the molecular formula C14H12FNO and a molecular weight of 229.25 g/mol. Its IUPAC name is 1-[4-fluoro-3-(4-methyl-2-pyridinyl)phenyl]ethanone.

Molecular Properties

Compound Name1-[4-fluoro-3-(4-methyl-2-pyridinyl)phenyl]ethanone
PubChem CID177459934
Molecular FormulaC14H12FNO
Molecular Weight229.25 g/mol
Exact Mass229.09
IUPAC Name1-[4-fluoro-3-(4-methyl-2-pyridinyl)phenyl]ethanone
SMILESCC(=O)c1ccc(F)c(-c2cc(C)ccn2)c1
InChIInChI=1S/C14H12FNO/c1-9-5-6-16-14(7-9)12-8-11(10(2)17)3-4-13(12)15/h3-8H,1-2H3
InChIKeyGJLVJGDPWRPQKZ-UHFFFAOYSA-N
XLogP3.40
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.25
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-fluoro-3-(4-methyl-2-pyridinyl)aniline
CID 22473541
1-[3-(2-fluoro-5-methylphenyl)phenyl]ethanone
CID 54912743
1-(4-fluoro-3-pyridin-3-ylphenyl)ethanone
CID 82541383
1-(4-fluoro-3-quinolin-8-ylphenyl)ethanone
CID 82540926
5-fluoro-2-(4-methyl-2-pyridinyl)benzaldehyde
CID 141304242
4-methyl-2-(4-methyl-2-pyridinyl)pyridine;oxovanadium
CID 139924983
4-methyl-2-(4-prop-1-en-2-ylphenyl)pyridine
CID 143032130
copper;bis(4-methyl-2-(4-methyl-2-pyridinyl)pyridine)
CID 23557697
tris(4-methyl-2-(4-methyl-2-pyridinyl)pyridine);ruthenium(2+)
CID 154828609
1-[2-(2-fluoro-5-methylphenyl)-1,3-thiazol-5-yl]ethanone
CID 107931854
4-fluoro-3-(3-methylphenyl)benzoic acid
CID 52984086
1-[3-(5-acetyl-2-methylphenyl)-4-methylphenyl]ethanone
CID 53409856

Frequently Asked Questions

What is the IUPAC name of 1-[4-fluoro-3-(4-methyl-2-pyridinyl)phenyl]ethanone?
The IUPAC name of 1-[4-fluoro-3-(4-methyl-2-pyridinyl)phenyl]ethanone (CID 177459934) is 1-[4-fluoro-3-(4-methyl-2-pyridinyl)phenyl]ethanone.
What is the SMILES notation for 1-[4-fluoro-3-(4-methyl-2-pyridinyl)phenyl]ethanone?
The canonical SMILES for 1-[4-fluoro-3-(4-methyl-2-pyridinyl)phenyl]ethanone is CC(=O)c1ccc(F)c(-c2cc(C)ccn2)c1.
What is the InChIKey of 1-[4-fluoro-3-(4-methyl-2-pyridinyl)phenyl]ethanone?
The InChIKey is GJLVJGDPWRPQKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FNO/c1-9-5-6-16-14(7-9)12-8-11(10(2)17)3-4-13(12)15/h3-8H,1-2H3.
What are the key properties of 1-[4-fluoro-3-(4-methyl-2-pyridinyl)phenyl]ethanone?
1-[4-fluoro-3-(4-methyl-2-pyridinyl)phenyl]ethanone has a molecular weight of 229.25 g/mol, XLogP of 3.40, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-fluoro-3-(4-methyl-2-pyridinyl)phenyl]ethanone is sourced from PubChem (CID 177459934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).