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

C19H16BrFN2O2 — CID 44529090

IUPAC3-bromo-5-[6-[(4-fluorophenyl)methoxy]-3-pyridinyl]-2,6-dimethyl-1H-pyridin-4-one
SMILESCc1[nH]c(C)c(-c2ccc(OCc3ccc(F)cc3)nc2)c(=O)c1Br
InChIInChI=1S/C19H16BrFN2O2/c1-11-17(19(24)18(20)12(2)23-11)14-5-8-16(22-9-14)25-10-13-3-6-15(21)7-4-13/h3-9H,10H2,1-2H3,(H,23,24)
InChIKeyKOHNAVCUPVLLIB-UHFFFAOYSA-N
MW403.25 g/mol
LogP4.53
Rot. Bonds4

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

3-bromo-5-[6-[(4-fluorophenyl)methoxy]-3-pyridinyl]-2,6-dimethyl-1H-pyridin-4-one (PubChem CID 44529090) has the molecular formula C19H16BrFN2O2 and a molecular weight of 403.25 g/mol. Its IUPAC name is 3-bromo-5-[6-[(4-fluorophenyl)methoxy]-3-pyridinyl]-2,6-dimethyl-1H-pyridin-4-one.

Molecular Properties

Compound Name3-bromo-5-[6-[(4-fluorophenyl)methoxy]-3-pyridinyl]-2,6-dimethyl-1H-pyridin-4-one
PubChem CID44529090
Molecular FormulaC19H16BrFN2O2
Molecular Weight403.25 g/mol
Exact Mass402.04
IUPAC Name3-bromo-5-[6-[(4-fluorophenyl)methoxy]-3-pyridinyl]-2,6-dimethyl-1H-pyridin-4-one
SMILESCc1[nH]c(C)c(-c2ccc(OCc3ccc(F)cc3)nc2)c(=O)c1Br
InChIInChI=1S/C19H16BrFN2O2/c1-11-17(19(24)18(20)12(2)23-11)14-5-8-16(22-9-14)25-10-13-3-6-15(21)7-4-13/h3-9H,10H2,1-2H3,(H,23,24)
InChIKeyKOHNAVCUPVLLIB-UHFFFAOYSA-N
XLogP4.53
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.25
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-[6-[(4-fluorophenyl)methoxy]-3-pyridinyl]-2,6-dimethyl-1H-pyridin-4-one?
The IUPAC name of 3-bromo-5-[6-[(4-fluorophenyl)methoxy]-3-pyridinyl]-2,6-dimethyl-1H-pyridin-4-one (CID 44529090) is 3-bromo-5-[6-[(4-fluorophenyl)methoxy]-3-pyridinyl]-2,6-dimethyl-1H-pyridin-4-one.
What is the SMILES notation for 3-bromo-5-[6-[(4-fluorophenyl)methoxy]-3-pyridinyl]-2,6-dimethyl-1H-pyridin-4-one?
The canonical SMILES for 3-bromo-5-[6-[(4-fluorophenyl)methoxy]-3-pyridinyl]-2,6-dimethyl-1H-pyridin-4-one is Cc1[nH]c(C)c(-c2ccc(OCc3ccc(F)cc3)nc2)c(=O)c1Br.
What is the InChIKey of 3-bromo-5-[6-[(4-fluorophenyl)methoxy]-3-pyridinyl]-2,6-dimethyl-1H-pyridin-4-one?
The InChIKey is KOHNAVCUPVLLIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16BrFN2O2/c1-11-17(19(24)18(20)12(2)23-11)14-5-8-16(22-9-14)25-10-13-3-6-15(21)7-4-13/h3-9H,10H2,1-2H3,(H,23,24).
What are the key properties of 3-bromo-5-[6-[(4-fluorophenyl)methoxy]-3-pyridinyl]-2,6-dimethyl-1H-pyridin-4-one?
3-bromo-5-[6-[(4-fluorophenyl)methoxy]-3-pyridinyl]-2,6-dimethyl-1H-pyridin-4-one has a molecular weight of 403.25 g/mol, XLogP of 4.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-[6-[(4-fluorophenyl)methoxy]-3-pyridinyl]-2,6-dimethyl-1H-pyridin-4-one is sourced from PubChem (CID 44529090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).