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

C18H15BrN2O — CID 44529668

IUPAC3-bromo-2,6-dimethyl-5-(6-phenyl-3-pyridinyl)-1H-pyridin-4-one
SMILESCc1[nH]c(C)c(-c2ccc(-c3ccccc3)nc2)c(=O)c1Br
InChIInChI=1S/C18H15BrN2O/c1-11-16(18(22)17(19)12(2)21-11)14-8-9-15(20-10-14)13-6-4-3-5-7-13/h3-10H,1-2H3,(H,21,22)
InChIKeyKFECZHNFMFHHIT-UHFFFAOYSA-N
MW355.24 g/mol
LogP4.48
Rot. Bonds2

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

3-bromo-2,6-dimethyl-5-(6-phenyl-3-pyridinyl)-1H-pyridin-4-one (PubChem CID 44529668) has the molecular formula C18H15BrN2O and a molecular weight of 355.24 g/mol. Its IUPAC name is 3-bromo-2,6-dimethyl-5-(6-phenyl-3-pyridinyl)-1H-pyridin-4-one.

Molecular Properties

Compound Name3-bromo-2,6-dimethyl-5-(6-phenyl-3-pyridinyl)-1H-pyridin-4-one
PubChem CID44529668
Molecular FormulaC18H15BrN2O
Molecular Weight355.24 g/mol
Exact Mass354.04
IUPAC Name3-bromo-2,6-dimethyl-5-(6-phenyl-3-pyridinyl)-1H-pyridin-4-one
SMILESCc1[nH]c(C)c(-c2ccc(-c3ccccc3)nc2)c(=O)c1Br
InChIInChI=1S/C18H15BrN2O/c1-11-16(18(22)17(19)12(2)21-11)14-8-9-15(20-10-14)13-6-4-3-5-7-13/h3-10H,1-2H3,(H,21,22)
InChIKeyKFECZHNFMFHHIT-UHFFFAOYSA-N
XLogP4.48
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.24
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-2,6-dimethyl-5-(6-phenyl-3-pyridinyl)-1H-pyridin-4-one?
The IUPAC name of 3-bromo-2,6-dimethyl-5-(6-phenyl-3-pyridinyl)-1H-pyridin-4-one (CID 44529668) is 3-bromo-2,6-dimethyl-5-(6-phenyl-3-pyridinyl)-1H-pyridin-4-one.
What is the SMILES notation for 3-bromo-2,6-dimethyl-5-(6-phenyl-3-pyridinyl)-1H-pyridin-4-one?
The canonical SMILES for 3-bromo-2,6-dimethyl-5-(6-phenyl-3-pyridinyl)-1H-pyridin-4-one is Cc1[nH]c(C)c(-c2ccc(-c3ccccc3)nc2)c(=O)c1Br.
What is the InChIKey of 3-bromo-2,6-dimethyl-5-(6-phenyl-3-pyridinyl)-1H-pyridin-4-one?
The InChIKey is KFECZHNFMFHHIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrN2O/c1-11-16(18(22)17(19)12(2)21-11)14-8-9-15(20-10-14)13-6-4-3-5-7-13/h3-10H,1-2H3,(H,21,22).
What are the key properties of 3-bromo-2,6-dimethyl-5-(6-phenyl-3-pyridinyl)-1H-pyridin-4-one?
3-bromo-2,6-dimethyl-5-(6-phenyl-3-pyridinyl)-1H-pyridin-4-one has a molecular weight of 355.24 g/mol, XLogP of 4.48, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2,6-dimethyl-5-(6-phenyl-3-pyridinyl)-1H-pyridin-4-one is sourced from PubChem (CID 44529668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).