5-(4-decyl-3-fluorophenyl)-1H-pyridin-2-one

C21H28FNO — CID 19700153

IUPAC5-(4-decyl-3-fluorophenyl)-1H-pyridin-2-one
SMILESCCCCCCCCCCc1ccc(-c2ccc(=O)[nH]c2)cc1F
InChIInChI=1S/C21H28FNO/c1-2-3-4-5-6-7-8-9-10-17-11-12-18(15-20(17)22)19-13-14-21(24)23-16-19/h11-16H,2-10H2,1H3,(H,23,24)
InChIKeyMRDPQXVKNMMQQB-UHFFFAOYSA-N
MW329.46 g/mol
LogP5.86
Rot. Bonds10

About 5-(4-decyl-3-fluorophenyl)-1H-pyridin-2-one

5-(4-decyl-3-fluorophenyl)-1H-pyridin-2-one (PubChem CID 19700153) has the molecular formula C21H28FNO and a molecular weight of 329.46 g/mol. Its IUPAC name is 5-(4-decyl-3-fluorophenyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name5-(4-decyl-3-fluorophenyl)-1H-pyridin-2-one
PubChem CID19700153
Molecular FormulaC21H28FNO
Molecular Weight329.46 g/mol
Exact Mass329.22
IUPAC Name5-(4-decyl-3-fluorophenyl)-1H-pyridin-2-one
SMILESCCCCCCCCCCc1ccc(-c2ccc(=O)[nH]c2)cc1F
InChIInChI=1S/C21H28FNO/c1-2-3-4-5-6-7-8-9-10-17-11-12-18(15-20(17)22)19-13-14-21(24)23-16-19/h11-16H,2-10H2,1H3,(H,23,24)
InChIKeyMRDPQXVKNMMQQB-UHFFFAOYSA-N
XLogP5.86
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.46
LogP ≤ 55.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(4-decyl-3-fluorophenyl)-1H-pyridin-2-one?
The IUPAC name of 5-(4-decyl-3-fluorophenyl)-1H-pyridin-2-one (CID 19700153) is 5-(4-decyl-3-fluorophenyl)-1H-pyridin-2-one.
What is the SMILES notation for 5-(4-decyl-3-fluorophenyl)-1H-pyridin-2-one?
The canonical SMILES for 5-(4-decyl-3-fluorophenyl)-1H-pyridin-2-one is CCCCCCCCCCc1ccc(-c2ccc(=O)[nH]c2)cc1F.
What is the InChIKey of 5-(4-decyl-3-fluorophenyl)-1H-pyridin-2-one?
The InChIKey is MRDPQXVKNMMQQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28FNO/c1-2-3-4-5-6-7-8-9-10-17-11-12-18(15-20(17)22)19-13-14-21(24)23-16-19/h11-16H,2-10H2,1H3,(H,23,24).
What are the key properties of 5-(4-decyl-3-fluorophenyl)-1H-pyridin-2-one?
5-(4-decyl-3-fluorophenyl)-1H-pyridin-2-one has a molecular weight of 329.46 g/mol, XLogP of 5.86, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-decyl-3-fluorophenyl)-1H-pyridin-2-one is sourced from PubChem (CID 19700153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).