1-(2-fluorophenyl)-4-pyridin-2-ylbutane-1,4-dione

C15H12FNO2 — CID 90354643

IUPAC1-(2-fluorophenyl)-4-pyridin-2-ylbutane-1,4-dione
SMILESO=C(CCC(=O)c1ccccc1F)c1ccccn1
InChIInChI=1S/C15H12FNO2/c16-12-6-2-1-5-11(12)14(18)8-9-15(19)13-7-3-4-10-17-13/h1-7,10H,8-9H2
InChIKeyRNCRYQPMBSWFIK-UHFFFAOYSA-N
MW257.26 g/mol
LogP3.07
Rot. Bonds5

About 1-(2-fluorophenyl)-4-pyridin-2-ylbutane-1,4-dione

1-(2-fluorophenyl)-4-pyridin-2-ylbutane-1,4-dione (PubChem CID 90354643) has the molecular formula C15H12FNO2 and a molecular weight of 257.26 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-4-pyridin-2-ylbutane-1,4-dione.

Molecular Properties

Compound Name1-(2-fluorophenyl)-4-pyridin-2-ylbutane-1,4-dione
PubChem CID90354643
Molecular FormulaC15H12FNO2
Molecular Weight257.26 g/mol
Exact Mass257.09
IUPAC Name1-(2-fluorophenyl)-4-pyridin-2-ylbutane-1,4-dione
SMILESO=C(CCC(=O)c1ccccc1F)c1ccccn1
InChIInChI=1S/C15H12FNO2/c16-12-6-2-1-5-11(12)14(18)8-9-15(19)13-7-3-4-10-17-13/h1-7,10H,8-9H2
InChIKeyRNCRYQPMBSWFIK-UHFFFAOYSA-N
XLogP3.07
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.26
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-1-pyridin-2-ylpropan-1-one
CID 45079500
1-(3,4-dimethylphenyl)-4-(2-fluorophenyl)butane-1,4-dione;1-(3,4-dimethylphenyl)-4-(3-methylphenyl)butane-1,4-dione;1-(3,4-dimethylphenyl)-4-(4-methylphenyl)butane-1,4-dione;bis(1-(3,4-dimethylphenyl)-4-phenylbutane-1,4-dione);1-(3,4-dimethylphenyl)-4-pyridin-2-ylbutane-1,4-dione
CID 159947506
N'-(2-fluorobenzoyl)pyridine-2-carbohydrazide
CID 27661912
4,4-dimethyl-1-pyridin-2-ylpentan-1-one
CID 62620197
1-pyridin-2-yl-4-sulfanylbutan-1-one
CID 20509868
3-anilino-1-pyridin-2-ylpropan-1-one
CID 12523109
1-pyridin-2-ylhexan-1-one
CID 556347
1-[2-[(dimethylamino)methyl]phenyl]-4-thiophen-2-ylbutane-1,4-dione;ethane;1-(3-fluoro-2-pyridinyl)-4-pyridin-2-ylbutane-1,4-dione
CID 145021947
4-(2-fluorophenyl)-4-oxobutanenitrile
CID 24723821
8-(2-fluorophenyl)-8-oxooctanoic acid
CID 24726960
4-(methylamino)-1-pyridin-2-ylbutan-1-one
CID 83816768
1-pyridin-2-ylbutane-1,3-dione
CID 12707221

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-4-pyridin-2-ylbutane-1,4-dione?
The IUPAC name of 1-(2-fluorophenyl)-4-pyridin-2-ylbutane-1,4-dione (CID 90354643) is 1-(2-fluorophenyl)-4-pyridin-2-ylbutane-1,4-dione.
What is the SMILES notation for 1-(2-fluorophenyl)-4-pyridin-2-ylbutane-1,4-dione?
The canonical SMILES for 1-(2-fluorophenyl)-4-pyridin-2-ylbutane-1,4-dione is O=C(CCC(=O)c1ccccc1F)c1ccccn1.
What is the InChIKey of 1-(2-fluorophenyl)-4-pyridin-2-ylbutane-1,4-dione?
The InChIKey is RNCRYQPMBSWFIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FNO2/c16-12-6-2-1-5-11(12)14(18)8-9-15(19)13-7-3-4-10-17-13/h1-7,10H,8-9H2.
What are the key properties of 1-(2-fluorophenyl)-4-pyridin-2-ylbutane-1,4-dione?
1-(2-fluorophenyl)-4-pyridin-2-ylbutane-1,4-dione has a molecular weight of 257.26 g/mol, XLogP of 3.07, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-4-pyridin-2-ylbutane-1,4-dione is sourced from PubChem (CID 90354643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).