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

C18H14BrClN2O — CID 44529669

IUPAC3-bromo-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)c1Br
InChIInChI=1S/C18H14BrClN2O/c1-10-16(18(23)17(19)11(2)22-10)13-5-8-15(21-9-13)12-3-6-14(20)7-4-12/h3-9H,1-2H3,(H,22,23)
InChIKeyMVGXJMRCECBOKA-UHFFFAOYSA-N
MW389.68 g/mol
LogP5.14
Rot. Bonds2

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

3-bromo-5-[6-(4-chlorophenyl)-3-pyridinyl]-2,6-dimethyl-1H-pyridin-4-one (PubChem CID 44529669) has the molecular formula C18H14BrClN2O and a molecular weight of 389.68 g/mol. Its IUPAC name is 3-bromo-5-[6-(4-chlorophenyl)-3-pyridinyl]-2,6-dimethyl-1H-pyridin-4-one.

Molecular Properties

Compound Name3-bromo-5-[6-(4-chlorophenyl)-3-pyridinyl]-2,6-dimethyl-1H-pyridin-4-one
PubChem CID44529669
Molecular FormulaC18H14BrClN2O
Molecular Weight389.68 g/mol
Exact Mass388.00
IUPAC Name3-bromo-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)c1Br
InChIInChI=1S/C18H14BrClN2O/c1-10-16(18(23)17(19)11(2)22-10)13-5-8-15(21-9-13)12-3-6-14(20)7-4-12/h3-9H,1-2H3,(H,22,23)
InChIKeyMVGXJMRCECBOKA-UHFFFAOYSA-N
XLogP5.14
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.68
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4'-Chlorobenzoyl)pyridine
CID 98503
1-(4-Chlorophenyl)-2-(pyridin-2-yl)ethan-1-one
CID 615549
2-(4-Chlorobenzoyl)pyridine
CID 80594
7-(4-Chlorophenyl)-2-methyl-5-oxo-4-(pyridin-3-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
CID 2864129
3-chloro-5-[6-[4-(difluoromethyl)phenyl]pyridin-3-yl]-2,6-dimethyl-1H-pyridin-4-one
CID 44523869
3-bromo-5-[6-(4-butylphenyl)-3-pyridinyl]-2,6-dimethyl-1H-pyridin-4-one;hydrochloride
CID 44529117
3-chloro-5-(6-heptyl-3-pyridinyl)-2,6-dimethyl-1H-pyridin-4-one
CID 44529243
3-bromo-2,6-dimethyl-5-[6-[2-(trifluoromethyl)phenyl]pyridin-3-yl]-1H-pyridin-4-one
CID 44529320
3-bromo-2,6-dimethyl-5-[6-[3-(trifluoromethyl)phenyl]pyridin-3-yl]-1H-pyridin-4-one
CID 44529351
3-bromo-5-[6-(4-fluorophenyl)-3-pyridinyl]-2,6-dimethyl-1H-pyridin-4-one
CID 44529364
3-bromo-5-[6-(2-fluorophenyl)-3-pyridinyl]-2,6-dimethyl-1H-pyridin-4-one
CID 44529365
3-chloro-5-[6-(2-fluorophenyl)-3-pyridinyl]-2,6-dimethyl-1H-pyridin-4-one
CID 44529366

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-[6-(4-chlorophenyl)-3-pyridinyl]-2,6-dimethyl-1H-pyridin-4-one?
The IUPAC name of 3-bromo-5-[6-(4-chlorophenyl)-3-pyridinyl]-2,6-dimethyl-1H-pyridin-4-one (CID 44529669) is 3-bromo-5-[6-(4-chlorophenyl)-3-pyridinyl]-2,6-dimethyl-1H-pyridin-4-one.
What is the SMILES notation for 3-bromo-5-[6-(4-chlorophenyl)-3-pyridinyl]-2,6-dimethyl-1H-pyridin-4-one?
The canonical SMILES for 3-bromo-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)c1Br.
What is the InChIKey of 3-bromo-5-[6-(4-chlorophenyl)-3-pyridinyl]-2,6-dimethyl-1H-pyridin-4-one?
The InChIKey is MVGXJMRCECBOKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14BrClN2O/c1-10-16(18(23)17(19)11(2)22-10)13-5-8-15(21-9-13)12-3-6-14(20)7-4-12/h3-9H,1-2H3,(H,22,23).
What are the key properties of 3-bromo-5-[6-(4-chlorophenyl)-3-pyridinyl]-2,6-dimethyl-1H-pyridin-4-one?
3-bromo-5-[6-(4-chlorophenyl)-3-pyridinyl]-2,6-dimethyl-1H-pyridin-4-one has a molecular weight of 389.68 g/mol, XLogP of 5.14, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-[6-(4-chlorophenyl)-3-pyridinyl]-2,6-dimethyl-1H-pyridin-4-one is sourced from PubChem (CID 44529669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).