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

C18H14BrFN2O — CID 44529364

IUPAC3-bromo-5-[6-(4-fluorophenyl)-3-pyridinyl]-2,6-dimethyl-1H-pyridin-4-one
SMILESCc1[nH]c(C)c(-c2ccc(-c3ccc(F)cc3)nc2)c(=O)c1Br
InChIInChI=1S/C18H14BrFN2O/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)
InChIKeyBGUPBFLSCKYCLE-UHFFFAOYSA-N
MW373.23 g/mol
LogP4.62
Rot. Bonds2

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

3-bromo-5-[6-(4-fluorophenyl)-3-pyridinyl]-2,6-dimethyl-1H-pyridin-4-one (PubChem CID 44529364) has the molecular formula C18H14BrFN2O and a molecular weight of 373.23 g/mol. Its IUPAC name is 3-bromo-5-[6-(4-fluorophenyl)-3-pyridinyl]-2,6-dimethyl-1H-pyridin-4-one.

Molecular Properties

Compound Name3-bromo-5-[6-(4-fluorophenyl)-3-pyridinyl]-2,6-dimethyl-1H-pyridin-4-one
PubChem CID44529364
Molecular FormulaC18H14BrFN2O
Molecular Weight373.23 g/mol
Exact Mass372.03
IUPAC Name3-bromo-5-[6-(4-fluorophenyl)-3-pyridinyl]-2,6-dimethyl-1H-pyridin-4-one
SMILESCc1[nH]c(C)c(-c2ccc(-c3ccc(F)cc3)nc2)c(=O)c1Br
InChIInChI=1S/C18H14BrFN2O/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)
InChIKeyBGUPBFLSCKYCLE-UHFFFAOYSA-N
XLogP4.62
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.23
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-[6-(4-fluorophenyl)-3-pyridinyl]-2,6-dimethyl-1H-pyridin-4-one?
The IUPAC name of 3-bromo-5-[6-(4-fluorophenyl)-3-pyridinyl]-2,6-dimethyl-1H-pyridin-4-one (CID 44529364) is 3-bromo-5-[6-(4-fluorophenyl)-3-pyridinyl]-2,6-dimethyl-1H-pyridin-4-one.
What is the SMILES notation for 3-bromo-5-[6-(4-fluorophenyl)-3-pyridinyl]-2,6-dimethyl-1H-pyridin-4-one?
The canonical SMILES for 3-bromo-5-[6-(4-fluorophenyl)-3-pyridinyl]-2,6-dimethyl-1H-pyridin-4-one is Cc1[nH]c(C)c(-c2ccc(-c3ccc(F)cc3)nc2)c(=O)c1Br.
What is the InChIKey of 3-bromo-5-[6-(4-fluorophenyl)-3-pyridinyl]-2,6-dimethyl-1H-pyridin-4-one?
The InChIKey is BGUPBFLSCKYCLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14BrFN2O/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-fluorophenyl)-3-pyridinyl]-2,6-dimethyl-1H-pyridin-4-one?
3-bromo-5-[6-(4-fluorophenyl)-3-pyridinyl]-2,6-dimethyl-1H-pyridin-4-one has a molecular weight of 373.23 g/mol, XLogP of 4.62, 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-fluorophenyl)-3-pyridinyl]-2,6-dimethyl-1H-pyridin-4-one is sourced from PubChem (CID 44529364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).