3-chloro-5-[6-(4-chlorophenyl)-3-pyridinyl]-2,6-dimethyl-1H-pyridin-4-one

C18H14Cl2N2O — CID 44529837

IUPAC3-chloro-5-[6-(4-chlorophenyl)-3-pyridinyl]-2,6-dimethyl-1H-pyridin-4-one
SMILESCc1[nH]c(C)c(-c2ccc(-c3ccc(Cl)cc3)nc2)c(=O)c1Cl
InChIInChI=1S/C18H14Cl2N2O/c1-10-16(18(23)17(20)11(2)22-10)13-5-8-15(21-9-13)12-3-6-14(19)7-4-12/h3-9H,1-2H3,(H,22,23)
InChIKeyPHTJVNUZJAULPR-UHFFFAOYSA-N
MW345.23 g/mol
LogP5.03
Rot. Bonds2

About 3-chloro-5-[6-(4-chlorophenyl)-3-pyridinyl]-2,6-dimethyl-1H-pyridin-4-one

3-chloro-5-[6-(4-chlorophenyl)-3-pyridinyl]-2,6-dimethyl-1H-pyridin-4-one (PubChem CID 44529837) has the molecular formula C18H14Cl2N2O and a molecular weight of 345.23 g/mol. Its IUPAC name is 3-chloro-5-[6-(4-chlorophenyl)-3-pyridinyl]-2,6-dimethyl-1H-pyridin-4-one.

Molecular Properties

Compound Name3-chloro-5-[6-(4-chlorophenyl)-3-pyridinyl]-2,6-dimethyl-1H-pyridin-4-one
PubChem CID44529837
Molecular FormulaC18H14Cl2N2O
Molecular Weight345.23 g/mol
Exact Mass344.05
IUPAC Name3-chloro-5-[6-(4-chlorophenyl)-3-pyridinyl]-2,6-dimethyl-1H-pyridin-4-one
SMILESCc1[nH]c(C)c(-c2ccc(-c3ccc(Cl)cc3)nc2)c(=O)c1Cl
InChIInChI=1S/C18H14Cl2N2O/c1-10-16(18(23)17(20)11(2)22-10)13-5-8-15(21-9-13)12-3-6-14(19)7-4-12/h3-9H,1-2H3,(H,22,23)
InChIKeyPHTJVNUZJAULPR-UHFFFAOYSA-N
XLogP5.03
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.23
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-[6-(4-chlorophenyl)-3-pyridinyl]-2,6-dimethyl-1H-pyridin-4-one?
The IUPAC name of 3-chloro-5-[6-(4-chlorophenyl)-3-pyridinyl]-2,6-dimethyl-1H-pyridin-4-one (CID 44529837) is 3-chloro-5-[6-(4-chlorophenyl)-3-pyridinyl]-2,6-dimethyl-1H-pyridin-4-one.
What is the SMILES notation for 3-chloro-5-[6-(4-chlorophenyl)-3-pyridinyl]-2,6-dimethyl-1H-pyridin-4-one?
The canonical SMILES for 3-chloro-5-[6-(4-chlorophenyl)-3-pyridinyl]-2,6-dimethyl-1H-pyridin-4-one is Cc1[nH]c(C)c(-c2ccc(-c3ccc(Cl)cc3)nc2)c(=O)c1Cl.
What is the InChIKey of 3-chloro-5-[6-(4-chlorophenyl)-3-pyridinyl]-2,6-dimethyl-1H-pyridin-4-one?
The InChIKey is PHTJVNUZJAULPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14Cl2N2O/c1-10-16(18(23)17(20)11(2)22-10)13-5-8-15(21-9-13)12-3-6-14(19)7-4-12/h3-9H,1-2H3,(H,22,23).
What are the key properties of 3-chloro-5-[6-(4-chlorophenyl)-3-pyridinyl]-2,6-dimethyl-1H-pyridin-4-one?
3-chloro-5-[6-(4-chlorophenyl)-3-pyridinyl]-2,6-dimethyl-1H-pyridin-4-one has a molecular weight of 345.23 g/mol, XLogP of 5.03, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-[6-(4-chlorophenyl)-3-pyridinyl]-2,6-dimethyl-1H-pyridin-4-one is sourced from PubChem (CID 44529837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).