1-(3-chloro-2-pyridinyl)-4-(3-fluorophenyl)butane-1,4-dione

C15H11ClFNO2 — CID 90371133

IUPAC1-(3-chloro-2-pyridinyl)-4-(3-fluorophenyl)butane-1,4-dione
SMILESO=C(CCC(=O)c1ncccc1Cl)c1cccc(F)c1
InChIInChI=1S/C15H11ClFNO2/c16-12-5-2-8-18-15(12)14(20)7-6-13(19)10-3-1-4-11(17)9-10/h1-5,8-9H,6-7H2
InChIKeyLUIWLAXIMMBTIA-UHFFFAOYSA-N
MW291.71 g/mol
LogP3.72
Rot. Bonds5

About 1-(3-chloro-2-pyridinyl)-4-(3-fluorophenyl)butane-1,4-dione

1-(3-chloro-2-pyridinyl)-4-(3-fluorophenyl)butane-1,4-dione (PubChem CID 90371133) has the molecular formula C15H11ClFNO2 and a molecular weight of 291.71 g/mol. Its IUPAC name is 1-(3-chloro-2-pyridinyl)-4-(3-fluorophenyl)butane-1,4-dione.

Molecular Properties

Compound Name1-(3-chloro-2-pyridinyl)-4-(3-fluorophenyl)butane-1,4-dione
PubChem CID90371133
Molecular FormulaC15H11ClFNO2
Molecular Weight291.71 g/mol
Exact Mass291.05
IUPAC Name1-(3-chloro-2-pyridinyl)-4-(3-fluorophenyl)butane-1,4-dione
SMILESO=C(CCC(=O)c1ncccc1Cl)c1cccc(F)c1
InChIInChI=1S/C15H11ClFNO2/c16-12-5-2-8-18-15(12)14(20)7-6-13(19)10-3-1-4-11(17)9-10/h1-5,8-9H,6-7H2
InChIKeyLUIWLAXIMMBTIA-UHFFFAOYSA-N
XLogP3.72
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.71
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chloro-2-pyridinyl)-4,4,4-trifluorobutan-1-one
CID 103443231
1-(3-chloro-2-pyridinyl)-4-(1H-indazol-5-yl)butane-1,4-dione
CID 90371116
3-fluoro-1-(3-fluorophenyl)propan-1-one
CID 56986088
1-(3-chloro-2-pyridinyl)propan-1-one
CID 67986834
2-(2,3-dichloro-4-pyridinyl)-1-(3-fluorophenyl)ethanone
CID 57178759
3-(3-chlorophenyl)-1-(3-fluorophenyl)propan-1-one
CID 24726035
2-(3-chloro-4-fluorophenoxy)-1-(3-fluorophenyl)ethanone
CID 60675294
2-chloro-N-[2-(3-fluorophenyl)-2-oxoethyl]benzamide
CID 134123734
1-(3-fluorophenyl)-2-quinolin-8-yloxyethanone
CID 43226497
2-(3-fluorophenyl)-1-quinolin-6-ylethanone
CID 63096139
2-(2-chlorophenyl)sulfonyl-1-(3-fluorophenyl)ethanone
CID 64642512
1-(3-fluorophenyl)-2-pyridazin-3-ylethanone
CID 116832978

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-pyridinyl)-4-(3-fluorophenyl)butane-1,4-dione?
The IUPAC name of 1-(3-chloro-2-pyridinyl)-4-(3-fluorophenyl)butane-1,4-dione (CID 90371133) is 1-(3-chloro-2-pyridinyl)-4-(3-fluorophenyl)butane-1,4-dione.
What is the SMILES notation for 1-(3-chloro-2-pyridinyl)-4-(3-fluorophenyl)butane-1,4-dione?
The canonical SMILES for 1-(3-chloro-2-pyridinyl)-4-(3-fluorophenyl)butane-1,4-dione is O=C(CCC(=O)c1ncccc1Cl)c1cccc(F)c1.
What is the InChIKey of 1-(3-chloro-2-pyridinyl)-4-(3-fluorophenyl)butane-1,4-dione?
The InChIKey is LUIWLAXIMMBTIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClFNO2/c16-12-5-2-8-18-15(12)14(20)7-6-13(19)10-3-1-4-11(17)9-10/h1-5,8-9H,6-7H2.
What are the key properties of 1-(3-chloro-2-pyridinyl)-4-(3-fluorophenyl)butane-1,4-dione?
1-(3-chloro-2-pyridinyl)-4-(3-fluorophenyl)butane-1,4-dione has a molecular weight of 291.71 g/mol, XLogP of 3.72, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-pyridinyl)-4-(3-fluorophenyl)butane-1,4-dione is sourced from PubChem (CID 90371133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).