1-[(2-chloro-6-fluorophenyl)methyl]-4-pentoxypyridin-2-one

C17H19ClFNO2 — CID 67306938

IUPAC1-[(2-chloro-6-fluorophenyl)methyl]-4-pentoxypyridin-2-one
SMILESCCCCCOc1ccn(Cc2c(F)cccc2Cl)c(=O)c1
InChIInChI=1S/C17H19ClFNO2/c1-2-3-4-10-22-13-8-9-20(17(21)11-13)12-14-15(18)6-5-7-16(14)19/h5-9,11H,2-4,10,12H2,1H3
InChIKeyDIQDQKCKJBJXRC-UHFFFAOYSA-N
MW323.80 g/mol
LogP4.26
Rot. Bonds7

About 1-[(2-chloro-6-fluorophenyl)methyl]-4-pentoxypyridin-2-one

1-[(2-chloro-6-fluorophenyl)methyl]-4-pentoxypyridin-2-one (PubChem CID 67306938) has the molecular formula C17H19ClFNO2 and a molecular weight of 323.80 g/mol. Its IUPAC name is 1-[(2-chloro-6-fluorophenyl)methyl]-4-pentoxypyridin-2-one.

Molecular Properties

Compound Name1-[(2-chloro-6-fluorophenyl)methyl]-4-pentoxypyridin-2-one
PubChem CID67306938
Molecular FormulaC17H19ClFNO2
Molecular Weight323.80 g/mol
Exact Mass323.11
IUPAC Name1-[(2-chloro-6-fluorophenyl)methyl]-4-pentoxypyridin-2-one
SMILESCCCCCOc1ccn(Cc2c(F)cccc2Cl)c(=O)c1
InChIInChI=1S/C17H19ClFNO2/c1-2-3-4-10-22-13-8-9-20(17(21)11-13)12-14-15(18)6-5-7-16(14)19/h5-9,11H,2-4,10,12H2,1H3
InChIKeyDIQDQKCKJBJXRC-UHFFFAOYSA-N
XLogP4.26
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.80
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 1-[(2-chloro-6-fluorophenyl)methyl]-4-pentoxypyridin-2-one?
The IUPAC name of 1-[(2-chloro-6-fluorophenyl)methyl]-4-pentoxypyridin-2-one (CID 67306938) is 1-[(2-chloro-6-fluorophenyl)methyl]-4-pentoxypyridin-2-one.
What is the SMILES notation for 1-[(2-chloro-6-fluorophenyl)methyl]-4-pentoxypyridin-2-one?
The canonical SMILES for 1-[(2-chloro-6-fluorophenyl)methyl]-4-pentoxypyridin-2-one is CCCCCOc1ccn(Cc2c(F)cccc2Cl)c(=O)c1.
What is the InChIKey of 1-[(2-chloro-6-fluorophenyl)methyl]-4-pentoxypyridin-2-one?
The InChIKey is DIQDQKCKJBJXRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClFNO2/c1-2-3-4-10-22-13-8-9-20(17(21)11-13)12-14-15(18)6-5-7-16(14)19/h5-9,11H,2-4,10,12H2,1H3.
What are the key properties of 1-[(2-chloro-6-fluorophenyl)methyl]-4-pentoxypyridin-2-one?
1-[(2-chloro-6-fluorophenyl)methyl]-4-pentoxypyridin-2-one has a molecular weight of 323.80 g/mol, XLogP of 4.26, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chloro-6-fluorophenyl)methyl]-4-pentoxypyridin-2-one is sourced from PubChem (CID 67306938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).