2-(4-fluoro-2-methylphenyl)-1-(3-methyl-2-pyridinyl)ethanone

C15H14FNO — CID 114347182

IUPAC2-(4-fluoro-2-methylphenyl)-1-(3-methyl-2-pyridinyl)ethanone
SMILESCc1cc(F)ccc1CC(=O)c1ncccc1C
InChIInChI=1S/C15H14FNO/c1-10-4-3-7-17-15(10)14(18)9-12-5-6-13(16)8-11(12)2/h3-8H,9H2,1-2H3
InChIKeyNGSILENGKGKPOY-UHFFFAOYSA-N
MW243.28 g/mol
LogP3.26
Rot. Bonds3

About 2-(4-fluoro-2-methylphenyl)-1-(3-methyl-2-pyridinyl)ethanone

2-(4-fluoro-2-methylphenyl)-1-(3-methyl-2-pyridinyl)ethanone (PubChem CID 114347182) has the molecular formula C15H14FNO and a molecular weight of 243.28 g/mol. Its IUPAC name is 2-(4-fluoro-2-methylphenyl)-1-(3-methyl-2-pyridinyl)ethanone.

Molecular Properties

Compound Name2-(4-fluoro-2-methylphenyl)-1-(3-methyl-2-pyridinyl)ethanone
PubChem CID114347182
Molecular FormulaC15H14FNO
Molecular Weight243.28 g/mol
Exact Mass243.11
IUPAC Name2-(4-fluoro-2-methylphenyl)-1-(3-methyl-2-pyridinyl)ethanone
SMILESCc1cc(F)ccc1CC(=O)c1ncccc1C
InChIInChI=1S/C15H14FNO/c1-10-4-3-7-17-15(10)14(18)9-12-5-6-13(16)8-11(12)2/h3-8H,9H2,1-2H3
InChIKeyNGSILENGKGKPOY-UHFFFAOYSA-N
XLogP3.26
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.28
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromo-2-pyridinyl)-2-(5-fluoro-2-methylphenyl)ethanone
CID 105373365
2-(4-fluoro-2-methylphenyl)-1-phenylethanone
CID 114347156
2-(2,4-difluorophenyl)-1-(3-methoxy-2-pyridinyl)ethanone
CID 114053696
1-(3,5-dichloro-2-pyridinyl)-2-(4-fluoro-2-methylphenyl)ethanone
CID 114347309
2-(4-fluoro-2-methylphenyl)-1-pyrimidin-4-ylethanone
CID 114347220
2-(4-fluoro-2-methylphenyl)acetic acid
CID 5016950
2-(3,4-dichlorophenyl)-1-(3-methyl-2-pyridinyl)ethanone
CID 62621745
2-(2-bromo-5-fluorophenyl)-1-(3-ethyl-2-pyridinyl)ethanone
CID 82730447
1-(2-ethylphenyl)-2-(4-fluoro-2-methylphenyl)ethanone
CID 115812520
1,1-difluoro-3-(4-fluoro-2-methylphenyl)propan-2-one
CID 114347353
1-(5-chloro-2-pyridinyl)-2-(4-fluoro-2-methylphenyl)ethanone
CID 114347317
2-(5-bromo-3-pyridinyl)-1-(3-methyl-2-pyridinyl)ethanone
CID 104798767

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-2-methylphenyl)-1-(3-methyl-2-pyridinyl)ethanone?
The IUPAC name of 2-(4-fluoro-2-methylphenyl)-1-(3-methyl-2-pyridinyl)ethanone (CID 114347182) is 2-(4-fluoro-2-methylphenyl)-1-(3-methyl-2-pyridinyl)ethanone.
What is the SMILES notation for 2-(4-fluoro-2-methylphenyl)-1-(3-methyl-2-pyridinyl)ethanone?
The canonical SMILES for 2-(4-fluoro-2-methylphenyl)-1-(3-methyl-2-pyridinyl)ethanone is Cc1cc(F)ccc1CC(=O)c1ncccc1C.
What is the InChIKey of 2-(4-fluoro-2-methylphenyl)-1-(3-methyl-2-pyridinyl)ethanone?
The InChIKey is NGSILENGKGKPOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNO/c1-10-4-3-7-17-15(10)14(18)9-12-5-6-13(16)8-11(12)2/h3-8H,9H2,1-2H3.
What are the key properties of 2-(4-fluoro-2-methylphenyl)-1-(3-methyl-2-pyridinyl)ethanone?
2-(4-fluoro-2-methylphenyl)-1-(3-methyl-2-pyridinyl)ethanone has a molecular weight of 243.28 g/mol, XLogP of 3.26, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-2-methylphenyl)-1-(3-methyl-2-pyridinyl)ethanone is sourced from PubChem (CID 114347182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).