1-(4-fluorophenyl)-3-(6-methyl-2-pyridinyl)propan-2-one

C15H14FNO — CID 175317074

IUPAC1-(4-fluorophenyl)-3-(6-methyl-2-pyridinyl)propan-2-one
SMILESCc1cccc(CC(=O)Cc2ccc(F)cc2)n1
InChIInChI=1S/C15H14FNO/c1-11-3-2-4-14(17-11)10-15(18)9-12-5-7-13(16)8-6-12/h2-8H,9-10H2,1H3
InChIKeyDYPKLJNIISQUKJ-UHFFFAOYSA-N
MW243.28 g/mol
LogP2.88
Rot. Bonds4

About 1-(4-fluorophenyl)-3-(6-methyl-2-pyridinyl)propan-2-one

1-(4-fluorophenyl)-3-(6-methyl-2-pyridinyl)propan-2-one (PubChem CID 175317074) has the molecular formula C15H14FNO and a molecular weight of 243.28 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-(6-methyl-2-pyridinyl)propan-2-one.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-(6-methyl-2-pyridinyl)propan-2-one
PubChem CID175317074
Molecular FormulaC15H14FNO
Molecular Weight243.28 g/mol
Exact Mass243.11
IUPAC Name1-(4-fluorophenyl)-3-(6-methyl-2-pyridinyl)propan-2-one
SMILESCc1cccc(CC(=O)Cc2ccc(F)cc2)n1
InChIInChI=1S/C15H14FNO/c1-11-3-2-4-14(17-11)10-15(18)9-12-5-7-13(16)8-6-12/h2-8H,9-10H2,1H3
InChIKeyDYPKLJNIISQUKJ-UHFFFAOYSA-N
XLogP2.88
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.28
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(4-fluorophenyl)methyl]-3-(6-methyl-2-pyridinyl)propanoic acid
CID 79419262
CID 131847838
CID 131847838
1-(6-methyl-2-pyridinyl)-3-thiophen-2-ylpropan-2-one
CID 135036167
1-(4-fluorophenyl)-3-pyridin-4-ylpropan-2-one
CID 62551750
1-(4-fluorophenyl)-3-(1-methyltriazol-4-yl)propan-2-one
CID 107046860
1-[(4-fluorophenyl)methyl]-2-methyl-3-[(6-methyl-2-pyridinyl)methyl]guanidine
CID 111233083
5-[(4-fluorophenoxy)methyl]-N-[(6-methyl-2-pyridinyl)methyl]furan-2-carboxamide
CID 87041338
2-(4-fluorophenyl)-N-(2-methylquinolin-8-yl)acetamide
CID 110734154
2-[4-[(6-methyl-2-pyridinyl)methylsulfinyl]phenyl]acetic acid
CID 79261577
1-(4-fluorophenyl)pentane-2,4-dione
CID 57447744
1-(4-fluorophenyl)-3-(methylamino)propan-2-one
CID 83636230
1-[3-(4-fluorophenyl)-2-oxopropyl]-6-methylpyridin-2-one
CID 62024908

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3-(6-methyl-2-pyridinyl)propan-2-one?
The IUPAC name of 1-(4-fluorophenyl)-3-(6-methyl-2-pyridinyl)propan-2-one (CID 175317074) is 1-(4-fluorophenyl)-3-(6-methyl-2-pyridinyl)propan-2-one.
What is the SMILES notation for 1-(4-fluorophenyl)-3-(6-methyl-2-pyridinyl)propan-2-one?
The canonical SMILES for 1-(4-fluorophenyl)-3-(6-methyl-2-pyridinyl)propan-2-one is Cc1cccc(CC(=O)Cc2ccc(F)cc2)n1.
What is the InChIKey of 1-(4-fluorophenyl)-3-(6-methyl-2-pyridinyl)propan-2-one?
The InChIKey is DYPKLJNIISQUKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNO/c1-11-3-2-4-14(17-11)10-15(18)9-12-5-7-13(16)8-6-12/h2-8H,9-10H2,1H3.
What are the key properties of 1-(4-fluorophenyl)-3-(6-methyl-2-pyridinyl)propan-2-one?
1-(4-fluorophenyl)-3-(6-methyl-2-pyridinyl)propan-2-one has a molecular weight of 243.28 g/mol, XLogP of 2.88, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3-(6-methyl-2-pyridinyl)propan-2-one is sourced from PubChem (CID 175317074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).