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

C18H14Cl2N2O2 — CID 11847650

IUPAC3-chloro-5-[6-(2-chlorophenyl)-4-oxo-1H-pyridin-3-yl]-2,6-dimethyl-1H-pyridin-4-one
SMILESCc1[nH]c(C)c(-c2c[nH]c(-c3ccccc3Cl)cc2=O)c(=O)c1Cl
InChIInChI=1S/C18H14Cl2N2O2/c1-9-16(18(24)17(20)10(2)22-9)12-8-21-14(7-15(12)23)11-5-3-4-6-13(11)19/h3-8H,1-2H3,(H,21,23)(H,22,24)
InChIKeyHQFIWBVNODVMJX-UHFFFAOYSA-N
MW361.23 g/mol
LogP4.32
Rot. Bonds2

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

3-chloro-5-[6-(2-chlorophenyl)-4-oxo-1H-pyridin-3-yl]-2,6-dimethyl-1H-pyridin-4-one (PubChem CID 11847650) has the molecular formula C18H14Cl2N2O2 and a molecular weight of 361.23 g/mol. Its IUPAC name is 3-chloro-5-[6-(2-chlorophenyl)-4-oxo-1H-pyridin-3-yl]-2,6-dimethyl-1H-pyridin-4-one.

Molecular Properties

Compound Name3-chloro-5-[6-(2-chlorophenyl)-4-oxo-1H-pyridin-3-yl]-2,6-dimethyl-1H-pyridin-4-one
PubChem CID11847650
Molecular FormulaC18H14Cl2N2O2
Molecular Weight361.23 g/mol
Exact Mass360.04
IUPAC Name3-chloro-5-[6-(2-chlorophenyl)-4-oxo-1H-pyridin-3-yl]-2,6-dimethyl-1H-pyridin-4-one
SMILESCc1[nH]c(C)c(-c2c[nH]c(-c3ccccc3Cl)cc2=O)c(=O)c1Cl
InChIInChI=1S/C18H14Cl2N2O2/c1-9-16(18(24)17(20)10(2)22-9)12-8-21-14(7-15(12)23)11-5-3-4-6-13(11)19/h3-8H,1-2H3,(H,21,23)(H,22,24)
InChIKeyHQFIWBVNODVMJX-UHFFFAOYSA-N
XLogP4.32
TPSA65.72 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.23
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-[6-(2-chlorophenyl)-4-oxo-1H-pyridin-3-yl]-2,6-dimethyl-1H-pyridin-4-one?
The IUPAC name of 3-chloro-5-[6-(2-chlorophenyl)-4-oxo-1H-pyridin-3-yl]-2,6-dimethyl-1H-pyridin-4-one (CID 11847650) is 3-chloro-5-[6-(2-chlorophenyl)-4-oxo-1H-pyridin-3-yl]-2,6-dimethyl-1H-pyridin-4-one.
What is the SMILES notation for 3-chloro-5-[6-(2-chlorophenyl)-4-oxo-1H-pyridin-3-yl]-2,6-dimethyl-1H-pyridin-4-one?
The canonical SMILES for 3-chloro-5-[6-(2-chlorophenyl)-4-oxo-1H-pyridin-3-yl]-2,6-dimethyl-1H-pyridin-4-one is Cc1[nH]c(C)c(-c2c[nH]c(-c3ccccc3Cl)cc2=O)c(=O)c1Cl.
What is the InChIKey of 3-chloro-5-[6-(2-chlorophenyl)-4-oxo-1H-pyridin-3-yl]-2,6-dimethyl-1H-pyridin-4-one?
The InChIKey is HQFIWBVNODVMJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14Cl2N2O2/c1-9-16(18(24)17(20)10(2)22-9)12-8-21-14(7-15(12)23)11-5-3-4-6-13(11)19/h3-8H,1-2H3,(H,21,23)(H,22,24).
What are the key properties of 3-chloro-5-[6-(2-chlorophenyl)-4-oxo-1H-pyridin-3-yl]-2,6-dimethyl-1H-pyridin-4-one?
3-chloro-5-[6-(2-chlorophenyl)-4-oxo-1H-pyridin-3-yl]-2,6-dimethyl-1H-pyridin-4-one has a molecular weight of 361.23 g/mol, XLogP of 4.32, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-[6-(2-chlorophenyl)-4-oxo-1H-pyridin-3-yl]-2,6-dimethyl-1H-pyridin-4-one is sourced from PubChem (CID 11847650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).