1-butan-2-yl-6-(4-fluorophenyl)-2-oxopyridine-3-carbonyl chloride

C16H15ClFNO2 — CID 82519475

IUPAC1-butan-2-yl-6-(4-fluorophenyl)-2-oxopyridine-3-carbonyl chloride
SMILESCCC(C)n1c(-c2ccc(F)cc2)ccc(C(=O)Cl)c1=O
InChIInChI=1S/C16H15ClFNO2/c1-3-10(2)19-14(11-4-6-12(18)7-5-11)9-8-13(15(17)20)16(19)21/h4-10H,3H2,1-2H3
InChIKeyISZNLVZWRLGHKB-UHFFFAOYSA-N
MW307.75 g/mol
LogP4.00
Rot. Bonds4

About 1-butan-2-yl-6-(4-fluorophenyl)-2-oxopyridine-3-carbonyl chloride

1-butan-2-yl-6-(4-fluorophenyl)-2-oxopyridine-3-carbonyl chloride (PubChem CID 82519475) has the molecular formula C16H15ClFNO2 and a molecular weight of 307.75 g/mol. Its IUPAC name is 1-butan-2-yl-6-(4-fluorophenyl)-2-oxopyridine-3-carbonyl chloride.

Molecular Properties

Compound Name1-butan-2-yl-6-(4-fluorophenyl)-2-oxopyridine-3-carbonyl chloride
PubChem CID82519475
Molecular FormulaC16H15ClFNO2
Molecular Weight307.75 g/mol
Exact Mass307.08
IUPAC Name1-butan-2-yl-6-(4-fluorophenyl)-2-oxopyridine-3-carbonyl chloride
SMILESCCC(C)n1c(-c2ccc(F)cc2)ccc(C(=O)Cl)c1=O
InChIInChI=1S/C16H15ClFNO2/c1-3-10(2)19-14(11-4-6-12(18)7-5-11)9-8-13(15(17)20)16(19)21/h4-10H,3H2,1-2H3
InChIKeyISZNLVZWRLGHKB-UHFFFAOYSA-N
XLogP4.00
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.75
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}

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Related Compounds

1-butan-2-yl-6-(4-fluorophenyl)-2-oxopyridine-3-carbonitrile
CID 82519490
6-(4-fluorophenyl)-2-oxo-1-propan-2-ylpyridine-3-carboxylic acid
CID 82099792
1-butan-2-yl-3-(hydroxymethyl)-6-(4-propan-2-ylphenyl)pyridin-2-one
CID 82520385
6-(4-fluorophenyl)-1-(2-methylpropyl)-2-oxopyridine-3-carbohydrazide
CID 82519493
1-(2-methylpropyl)-2-oxo-6-phenylpyridine-3-carbonyl chloride
CID 82521125
1-butan-2-yl-2-oxo-6-thiophen-2-ylpyridine-3-carbohydrazide
CID 82516663
1-butan-2-yl-2-oxo-6-thiophen-2-ylpyridine-3-carboxylic acid
CID 82516687
3-amino-6-(4-fluorophenyl)-1-propan-2-ylpyridin-2-one
CID 82466922
3-(1-aminoethyl)-1-butan-2-yl-6-(4-ethylphenyl)pyridin-2-one
CID 82520520
6-(4-fluorophenyl)-3-(2-hydroxypropan-2-yl)-1-propan-2-ylpyridin-2-one
CID 82519583
1-ethyl-6-(4-fluorophenyl)-2-oxopyridine-3-carbothioamide
CID 82519615
2-[6-(4-fluorophenyl)-1-(2-methylpropyl)-2-oxo-3-pyridinyl]acetic acid
CID 82519501

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-6-(4-fluorophenyl)-2-oxopyridine-3-carbonyl chloride?
The IUPAC name of 1-butan-2-yl-6-(4-fluorophenyl)-2-oxopyridine-3-carbonyl chloride (CID 82519475) is 1-butan-2-yl-6-(4-fluorophenyl)-2-oxopyridine-3-carbonyl chloride.
What is the SMILES notation for 1-butan-2-yl-6-(4-fluorophenyl)-2-oxopyridine-3-carbonyl chloride?
The canonical SMILES for 1-butan-2-yl-6-(4-fluorophenyl)-2-oxopyridine-3-carbonyl chloride is CCC(C)n1c(-c2ccc(F)cc2)ccc(C(=O)Cl)c1=O.
What is the InChIKey of 1-butan-2-yl-6-(4-fluorophenyl)-2-oxopyridine-3-carbonyl chloride?
The InChIKey is ISZNLVZWRLGHKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClFNO2/c1-3-10(2)19-14(11-4-6-12(18)7-5-11)9-8-13(15(17)20)16(19)21/h4-10H,3H2,1-2H3.
What are the key properties of 1-butan-2-yl-6-(4-fluorophenyl)-2-oxopyridine-3-carbonyl chloride?
1-butan-2-yl-6-(4-fluorophenyl)-2-oxopyridine-3-carbonyl chloride has a molecular weight of 307.75 g/mol, XLogP of 4.00, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-6-(4-fluorophenyl)-2-oxopyridine-3-carbonyl chloride is sourced from PubChem (CID 82519475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).