5-chloro-1-[(2-fluorophenyl)methyl]pyridin-2-one

C12H9ClFNO — CID 901046

IUPAC5-chloro-1-[(2-fluorophenyl)methyl]pyridin-2-one
SMILESO=c1ccc(Cl)cn1Cc1ccccc1F
InChIInChI=1S/C12H9ClFNO/c13-10-5-6-12(16)15(8-10)7-9-3-1-2-4-11(9)14/h1-6,8H,7H2
InChIKeyYHXZWBMSRACYPA-UHFFFAOYSA-N
MW237.66 g/mol
LogP2.69
Rot. Bonds2

About 5-chloro-1-[(2-fluorophenyl)methyl]pyridin-2-one

5-chloro-1-[(2-fluorophenyl)methyl]pyridin-2-one (PubChem CID 901046) has the molecular formula C12H9ClFNO and a molecular weight of 237.66 g/mol. Its IUPAC name is 5-chloro-1-[(2-fluorophenyl)methyl]pyridin-2-one.

Molecular Properties

Compound Name5-chloro-1-[(2-fluorophenyl)methyl]pyridin-2-one
PubChem CID901046
Molecular FormulaC12H9ClFNO
Molecular Weight237.66 g/mol
Exact Mass237.04
IUPAC Name5-chloro-1-[(2-fluorophenyl)methyl]pyridin-2-one
SMILESO=c1ccc(Cl)cn1Cc1ccccc1F
InChIInChI=1S/C12H9ClFNO/c13-10-5-6-12(16)15(8-10)7-9-3-1-2-4-11(9)14/h1-6,8H,7H2
InChIKeyYHXZWBMSRACYPA-UHFFFAOYSA-N
XLogP2.69
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.66
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-[(2-fluorophenyl)methyl]pyridin-2-one?
The IUPAC name of 5-chloro-1-[(2-fluorophenyl)methyl]pyridin-2-one (CID 901046) is 5-chloro-1-[(2-fluorophenyl)methyl]pyridin-2-one.
What is the SMILES notation for 5-chloro-1-[(2-fluorophenyl)methyl]pyridin-2-one?
The canonical SMILES for 5-chloro-1-[(2-fluorophenyl)methyl]pyridin-2-one is O=c1ccc(Cl)cn1Cc1ccccc1F.
What is the InChIKey of 5-chloro-1-[(2-fluorophenyl)methyl]pyridin-2-one?
The InChIKey is YHXZWBMSRACYPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClFNO/c13-10-5-6-12(16)15(8-10)7-9-3-1-2-4-11(9)14/h1-6,8H,7H2.
What are the key properties of 5-chloro-1-[(2-fluorophenyl)methyl]pyridin-2-one?
5-chloro-1-[(2-fluorophenyl)methyl]pyridin-2-one has a molecular weight of 237.66 g/mol, XLogP of 2.69, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-[(2-fluorophenyl)methyl]pyridin-2-one is sourced from PubChem (CID 901046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).