4-(4-fluorophenyl)-1-(6-methyl-2-pyridinyl)butan-2-one

C16H16FNO — CID 135045133

IUPAC4-(4-fluorophenyl)-1-(6-methyl-2-pyridinyl)butan-2-one
SMILESCc1cccc(CC(=O)CCc2ccc(F)cc2)n1
InChIInChI=1S/C16H16FNO/c1-12-3-2-4-15(18-12)11-16(19)10-7-13-5-8-14(17)9-6-13/h2-6,8-9H,7,10-11H2,1H3
InChIKeyOURVZRUWXNDAAH-UHFFFAOYSA-N
MW257.31 g/mol
LogP3.27
Rot. Bonds5

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

4-(4-fluorophenyl)-1-(6-methyl-2-pyridinyl)butan-2-one (PubChem CID 135045133) has the molecular formula C16H16FNO and a molecular weight of 257.31 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-1-(6-methyl-2-pyridinyl)butan-2-one.

Molecular Properties

Compound Name4-(4-fluorophenyl)-1-(6-methyl-2-pyridinyl)butan-2-one
PubChem CID135045133
Molecular FormulaC16H16FNO
Molecular Weight257.31 g/mol
Exact Mass257.12
IUPAC Name4-(4-fluorophenyl)-1-(6-methyl-2-pyridinyl)butan-2-one
SMILESCc1cccc(CC(=O)CCc2ccc(F)cc2)n1
InChIInChI=1S/C16H16FNO/c1-12-3-2-4-15(18-12)11-16(19)10-7-13-5-8-14(17)9-6-13/h2-6,8-9H,7,10-11H2,1H3
InChIKeyOURVZRUWXNDAAH-UHFFFAOYSA-N
XLogP3.27
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-1-(6-methyl-2-pyridinyl)butan-2-one?
The IUPAC name of 4-(4-fluorophenyl)-1-(6-methyl-2-pyridinyl)butan-2-one (CID 135045133) is 4-(4-fluorophenyl)-1-(6-methyl-2-pyridinyl)butan-2-one.
What is the SMILES notation for 4-(4-fluorophenyl)-1-(6-methyl-2-pyridinyl)butan-2-one?
The canonical SMILES for 4-(4-fluorophenyl)-1-(6-methyl-2-pyridinyl)butan-2-one is Cc1cccc(CC(=O)CCc2ccc(F)cc2)n1.
What is the InChIKey of 4-(4-fluorophenyl)-1-(6-methyl-2-pyridinyl)butan-2-one?
The InChIKey is OURVZRUWXNDAAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO/c1-12-3-2-4-15(18-12)11-16(19)10-7-13-5-8-14(17)9-6-13/h2-6,8-9H,7,10-11H2,1H3.
What are the key properties of 4-(4-fluorophenyl)-1-(6-methyl-2-pyridinyl)butan-2-one?
4-(4-fluorophenyl)-1-(6-methyl-2-pyridinyl)butan-2-one has a molecular weight of 257.31 g/mol, XLogP of 3.27, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-1-(6-methyl-2-pyridinyl)butan-2-one is sourced from PubChem (CID 135045133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).