1-[(4-chloro-2-fluorophenyl)methyl]-5-[4-(hydroxymethyl)phenyl]pyridin-2-one

C19H15ClFNO2 — CID 69440481

IUPAC1-[(4-chloro-2-fluorophenyl)methyl]-5-[4-(hydroxymethyl)phenyl]pyridin-2-one
SMILESO=c1ccc(-c2ccc(CO)cc2)cn1Cc1ccc(Cl)cc1F
InChIInChI=1S/C19H15ClFNO2/c20-17-7-5-16(18(21)9-17)11-22-10-15(6-8-19(22)24)14-3-1-13(12-23)2-4-14/h1-10,23H,11-12H2
InChIKeyCTBBYPLOFYPGIM-UHFFFAOYSA-N
MW343.79 g/mol
LogP3.85
Rot. Bonds4

About 1-[(4-chloro-2-fluorophenyl)methyl]-5-[4-(hydroxymethyl)phenyl]pyridin-2-one

1-[(4-chloro-2-fluorophenyl)methyl]-5-[4-(hydroxymethyl)phenyl]pyridin-2-one (PubChem CID 69440481) has the molecular formula C19H15ClFNO2 and a molecular weight of 343.79 g/mol. Its IUPAC name is 1-[(4-chloro-2-fluorophenyl)methyl]-5-[4-(hydroxymethyl)phenyl]pyridin-2-one.

Molecular Properties

Compound Name1-[(4-chloro-2-fluorophenyl)methyl]-5-[4-(hydroxymethyl)phenyl]pyridin-2-one
PubChem CID69440481
Molecular FormulaC19H15ClFNO2
Molecular Weight343.79 g/mol
Exact Mass343.08
IUPAC Name1-[(4-chloro-2-fluorophenyl)methyl]-5-[4-(hydroxymethyl)phenyl]pyridin-2-one
SMILESO=c1ccc(-c2ccc(CO)cc2)cn1Cc1ccc(Cl)cc1F
InChIInChI=1S/C19H15ClFNO2/c20-17-7-5-16(18(21)9-17)11-22-10-15(6-8-19(22)24)14-3-1-13(12-23)2-4-14/h1-10,23H,11-12H2
InChIKeyCTBBYPLOFYPGIM-UHFFFAOYSA-N
XLogP3.85
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.79
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-chloro-2-fluorophenyl)methyl]-5-[4-(hydroxymethyl)phenyl]pyridin-2-one?
The IUPAC name of 1-[(4-chloro-2-fluorophenyl)methyl]-5-[4-(hydroxymethyl)phenyl]pyridin-2-one (CID 69440481) is 1-[(4-chloro-2-fluorophenyl)methyl]-5-[4-(hydroxymethyl)phenyl]pyridin-2-one.
What is the SMILES notation for 1-[(4-chloro-2-fluorophenyl)methyl]-5-[4-(hydroxymethyl)phenyl]pyridin-2-one?
The canonical SMILES for 1-[(4-chloro-2-fluorophenyl)methyl]-5-[4-(hydroxymethyl)phenyl]pyridin-2-one is O=c1ccc(-c2ccc(CO)cc2)cn1Cc1ccc(Cl)cc1F.
What is the InChIKey of 1-[(4-chloro-2-fluorophenyl)methyl]-5-[4-(hydroxymethyl)phenyl]pyridin-2-one?
The InChIKey is CTBBYPLOFYPGIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClFNO2/c20-17-7-5-16(18(21)9-17)11-22-10-15(6-8-19(22)24)14-3-1-13(12-23)2-4-14/h1-10,23H,11-12H2.
What are the key properties of 1-[(4-chloro-2-fluorophenyl)methyl]-5-[4-(hydroxymethyl)phenyl]pyridin-2-one?
1-[(4-chloro-2-fluorophenyl)methyl]-5-[4-(hydroxymethyl)phenyl]pyridin-2-one has a molecular weight of 343.79 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chloro-2-fluorophenyl)methyl]-5-[4-(hydroxymethyl)phenyl]pyridin-2-one is sourced from PubChem (CID 69440481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).