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

C16H17ClFNO — CID 178142112

IUPAC1-[(2-chloro-6-fluorophenyl)methyl]-4-(2-methylpropyl)pyridin-2-one
SMILESCC(C)Cc1ccn(Cc2c(F)cccc2Cl)c(=O)c1
InChIInChI=1S/C16H17ClFNO/c1-11(2)8-12-6-7-19(16(20)9-12)10-13-14(17)4-3-5-15(13)18/h3-7,9,11H,8,10H2,1-2H3
InChIKeyZBRKROCSLBNWPM-UHFFFAOYSA-N
MW293.77 g/mol
LogP3.89
Rot. Bonds4

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

1-[(2-chloro-6-fluorophenyl)methyl]-4-(2-methylpropyl)pyridin-2-one (PubChem CID 178142112) has the molecular formula C16H17ClFNO and a molecular weight of 293.77 g/mol. Its IUPAC name is 1-[(2-chloro-6-fluorophenyl)methyl]-4-(2-methylpropyl)pyridin-2-one.

Molecular Properties

Compound Name1-[(2-chloro-6-fluorophenyl)methyl]-4-(2-methylpropyl)pyridin-2-one
PubChem CID178142112
Molecular FormulaC16H17ClFNO
Molecular Weight293.77 g/mol
Exact Mass293.10
IUPAC Name1-[(2-chloro-6-fluorophenyl)methyl]-4-(2-methylpropyl)pyridin-2-one
SMILESCC(C)Cc1ccn(Cc2c(F)cccc2Cl)c(=O)c1
InChIInChI=1S/C16H17ClFNO/c1-11(2)8-12-6-7-19(16(20)9-12)10-13-14(17)4-3-5-15(13)18/h3-7,9,11H,8,10H2,1-2H3
InChIKeyZBRKROCSLBNWPM-UHFFFAOYSA-N
XLogP3.89
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.77
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloro-6-fluorophenyl)methyl]-4-(2-methylpropyl)pyridin-2-one?
The IUPAC name of 1-[(2-chloro-6-fluorophenyl)methyl]-4-(2-methylpropyl)pyridin-2-one (CID 178142112) is 1-[(2-chloro-6-fluorophenyl)methyl]-4-(2-methylpropyl)pyridin-2-one.
What is the SMILES notation for 1-[(2-chloro-6-fluorophenyl)methyl]-4-(2-methylpropyl)pyridin-2-one?
The canonical SMILES for 1-[(2-chloro-6-fluorophenyl)methyl]-4-(2-methylpropyl)pyridin-2-one is CC(C)Cc1ccn(Cc2c(F)cccc2Cl)c(=O)c1.
What is the InChIKey of 1-[(2-chloro-6-fluorophenyl)methyl]-4-(2-methylpropyl)pyridin-2-one?
The InChIKey is ZBRKROCSLBNWPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClFNO/c1-11(2)8-12-6-7-19(16(20)9-12)10-13-14(17)4-3-5-15(13)18/h3-7,9,11H,8,10H2,1-2H3.
What are the key properties of 1-[(2-chloro-6-fluorophenyl)methyl]-4-(2-methylpropyl)pyridin-2-one?
1-[(2-chloro-6-fluorophenyl)methyl]-4-(2-methylpropyl)pyridin-2-one has a molecular weight of 293.77 g/mol, XLogP of 3.89, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chloro-6-fluorophenyl)methyl]-4-(2-methylpropyl)pyridin-2-one is sourced from PubChem (CID 178142112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).