3-[(2,4-dichlorophenyl)methyl]-4-hydroxy-1-(pyridin-4-ylmethyl)pyridin-2-one

C18H14Cl2N2O2 — CID 54696640

IUPAC3-[(2,4-dichlorophenyl)methyl]-4-hydroxy-1-(pyridin-4-ylmethyl)pyridin-2-one
SMILESO=c1c(Cc2ccc(Cl)cc2Cl)c(O)ccn1Cc1ccncc1
InChIInChI=1S/C18H14Cl2N2O2/c19-14-2-1-13(16(20)10-14)9-15-17(23)5-8-22(18(15)24)11-12-3-6-21-7-4-12/h1-8,10,23H,9,11H2
InChIKeyVATYYHKVOCLGDL-UHFFFAOYSA-N
MW361.23 g/mol
LogP3.89
Rot. Bonds4

About 3-[(2,4-dichlorophenyl)methyl]-4-hydroxy-1-(pyridin-4-ylmethyl)pyridin-2-one

3-[(2,4-dichlorophenyl)methyl]-4-hydroxy-1-(pyridin-4-ylmethyl)pyridin-2-one (PubChem CID 54696640) has the molecular formula C18H14Cl2N2O2 and a molecular weight of 361.23 g/mol. Its IUPAC name is 3-[(2,4-dichlorophenyl)methyl]-4-hydroxy-1-(pyridin-4-ylmethyl)pyridin-2-one.

Molecular Properties

Compound Name3-[(2,4-dichlorophenyl)methyl]-4-hydroxy-1-(pyridin-4-ylmethyl)pyridin-2-one
PubChem CID54696640
Molecular FormulaC18H14Cl2N2O2
Molecular Weight361.23 g/mol
Exact Mass360.04
IUPAC Name3-[(2,4-dichlorophenyl)methyl]-4-hydroxy-1-(pyridin-4-ylmethyl)pyridin-2-one
SMILESO=c1c(Cc2ccc(Cl)cc2Cl)c(O)ccn1Cc1ccncc1
InChIInChI=1S/C18H14Cl2N2O2/c19-14-2-1-13(16(20)10-14)9-15-17(23)5-8-22(18(15)24)11-12-3-6-21-7-4-12/h1-8,10,23H,9,11H2
InChIKeyVATYYHKVOCLGDL-UHFFFAOYSA-N
XLogP3.89
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.23
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(2,4-dichlorophenyl)methyl]-4-hydroxy-1-(pyridin-4-ylmethyl)pyridin-2-one?
The IUPAC name of 3-[(2,4-dichlorophenyl)methyl]-4-hydroxy-1-(pyridin-4-ylmethyl)pyridin-2-one (CID 54696640) is 3-[(2,4-dichlorophenyl)methyl]-4-hydroxy-1-(pyridin-4-ylmethyl)pyridin-2-one.
What is the SMILES notation for 3-[(2,4-dichlorophenyl)methyl]-4-hydroxy-1-(pyridin-4-ylmethyl)pyridin-2-one?
The canonical SMILES for 3-[(2,4-dichlorophenyl)methyl]-4-hydroxy-1-(pyridin-4-ylmethyl)pyridin-2-one is O=c1c(Cc2ccc(Cl)cc2Cl)c(O)ccn1Cc1ccncc1.
What is the InChIKey of 3-[(2,4-dichlorophenyl)methyl]-4-hydroxy-1-(pyridin-4-ylmethyl)pyridin-2-one?
The InChIKey is VATYYHKVOCLGDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14Cl2N2O2/c19-14-2-1-13(16(20)10-14)9-15-17(23)5-8-22(18(15)24)11-12-3-6-21-7-4-12/h1-8,10,23H,9,11H2.
What are the key properties of 3-[(2,4-dichlorophenyl)methyl]-4-hydroxy-1-(pyridin-4-ylmethyl)pyridin-2-one?
3-[(2,4-dichlorophenyl)methyl]-4-hydroxy-1-(pyridin-4-ylmethyl)pyridin-2-one has a molecular weight of 361.23 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,4-dichlorophenyl)methyl]-4-hydroxy-1-(pyridin-4-ylmethyl)pyridin-2-one is sourced from PubChem (CID 54696640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).