5-bromo-1-(4-fluorophenyl)-4,6-dimethyl-2-oxopyridine-3-carboxylic acid;1-(4-fluorophenyl)-4,5,6-trimethyl-2-oxopyridine-3-carboxylic acid

C29H25BrF2N2O6 — CID 167678195

IUPAC5-bromo-1-(4-fluorophenyl)-4,6-dimethyl-2-oxopyridine-3-carboxylic acid;1-(4-fluorophenyl)-4,5,6-trimethyl-2-oxopyridine-3-carboxylic acid
SMILESCc1c(Br)c(C)n(-c2ccc(F)cc2)c(=O)c1C(=O)O.Cc1c(C)c(C)n(-c2ccc(F)cc2)c(=O)c1C(=O)O
InChIInChI=1S/C15H14FNO3.C14H11BrFNO3/c1-8-9(2)13(15(19)20)14(18)17(10(8)3)12-6-4-11(16)5-7-12;1-7-11(14(19)20)13(18)17(8(2)12(7)15)10-5-3-9(16)4-6-10/h4-7H,1-3H3,(H,19,20);3-6H,1-2H3,(H,19,20)
InChIKeyVDAVLDDQYONFIR-UHFFFAOYSA-N
MW615.43 g/mol
LogP5.65
Rot. Bonds4

About 5-bromo-1-(4-fluorophenyl)-4,6-dimethyl-2-oxopyridine-3-carboxylic acid;1-(4-fluorophenyl)-4,5,6-trimethyl-2-oxopyridine-3-carboxylic acid

5-bromo-1-(4-fluorophenyl)-4,6-dimethyl-2-oxopyridine-3-carboxylic acid;1-(4-fluorophenyl)-4,5,6-trimethyl-2-oxopyridine-3-carboxylic acid (PubChem CID 167678195) has the molecular formula C29H25BrF2N2O6 and a molecular weight of 615.43 g/mol. Its IUPAC name is 5-bromo-1-(4-fluorophenyl)-4,6-dimethyl-2-oxopyridine-3-carboxylic acid;1-(4-fluorophenyl)-4,5,6-trimethyl-2-oxopyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-bromo-1-(4-fluorophenyl)-4,6-dimethyl-2-oxopyridine-3-carboxylic acid;1-(4-fluorophenyl)-4,5,6-trimethyl-2-oxopyridine-3-carboxylic acid
PubChem CID167678195
Molecular FormulaC29H25BrF2N2O6
Molecular Weight615.43 g/mol
Exact Mass614.09
IUPAC Name5-bromo-1-(4-fluorophenyl)-4,6-dimethyl-2-oxopyridine-3-carboxylic acid;1-(4-fluorophenyl)-4,5,6-trimethyl-2-oxopyridine-3-carboxylic acid
SMILESCc1c(Br)c(C)n(-c2ccc(F)cc2)c(=O)c1C(=O)O.Cc1c(C)c(C)n(-c2ccc(F)cc2)c(=O)c1C(=O)O
InChIInChI=1S/C15H14FNO3.C14H11BrFNO3/c1-8-9(2)13(15(19)20)14(18)17(10(8)3)12-6-4-11(16)5-7-12;1-7-11(14(19)20)13(18)17(8(2)12(7)15)10-5-3-9(16)4-6-10/h4-7H,1-3H3,(H,19,20);3-6H,1-2H3,(H,19,20)
InChIKeyVDAVLDDQYONFIR-UHFFFAOYSA-N
XLogP5.65
TPSA118.60 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500615.43
LogP ≤ 55.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-bromo-1-(4-fluorophenyl)-4,6-dimethyl-2-oxopyridine-3-carboxylic acid;1-(4-fluorophenyl)-4,5,6-trimethyl-2-oxopyridine-3-carboxylic acid with MolForge

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Related Compounds

1-(4-fluorophenyl)-4,5,6-trimethyl-2-oxopyridine-3-carboxamide
CID 175771096
5-ethyl-1-(4-fluorophenyl)-4,6-dimethyl-2-oxopyridine-3-carboxylic acid;hydrochloride
CID 175800434
1-(4-fluorophenyl)-2,3-dimethyl-5-oxopyrazole-4-carboxylic acid
CID 58368347
1-(4-fluorophenyl)-5,6-dimethyl-2-oxopyridine-3-carboxamide
CID 153406253
5-chloro-2,4-dimethyl-6-oxo-1-phenylpyridine-3-carboxylic acid
CID 67979466
1-(4-fluorophenyl)-2-methyl-5-phenylpyrrole-3-carboxylic acid
CID 58358774
1-(3-bromo-4-fluorophenyl)-2,4-dimethyl-6-oxopyridine-3-carboxylic acid
CID 104781495
1-(4-ethylphenyl)-4,6-dimethyl-2-oxopyridine-3-carboxylic acid
CID 82123881
1-(3-fluorophenyl)-4,5-dimethyl-2-oxopyridine-3-carboxylic acid
CID 82121582
ethyl 2-(4-fluorophenyl)-1,3-dioxo-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidine-4-carboxylate
CID 155177441
5-bromo-2,4-dimethyl-6-oxo-1-propylpyridine-3-carboxylic acid
CID 67254490
6-cyclopropyl-1-(4-fluorophenyl)-2-oxopyridine-3-carboxylic acid
CID 151618895

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-(4-fluorophenyl)-4,6-dimethyl-2-oxopyridine-3-carboxylic acid;1-(4-fluorophenyl)-4,5,6-trimethyl-2-oxopyridine-3-carboxylic acid?
The IUPAC name of 5-bromo-1-(4-fluorophenyl)-4,6-dimethyl-2-oxopyridine-3-carboxylic acid;1-(4-fluorophenyl)-4,5,6-trimethyl-2-oxopyridine-3-carboxylic acid (CID 167678195) is 5-bromo-1-(4-fluorophenyl)-4,6-dimethyl-2-oxopyridine-3-carboxylic acid;1-(4-fluorophenyl)-4,5,6-trimethyl-2-oxopyridine-3-carboxylic acid.
What is the SMILES notation for 5-bromo-1-(4-fluorophenyl)-4,6-dimethyl-2-oxopyridine-3-carboxylic acid;1-(4-fluorophenyl)-4,5,6-trimethyl-2-oxopyridine-3-carboxylic acid?
The canonical SMILES for 5-bromo-1-(4-fluorophenyl)-4,6-dimethyl-2-oxopyridine-3-carboxylic acid;1-(4-fluorophenyl)-4,5,6-trimethyl-2-oxopyridine-3-carboxylic acid is Cc1c(Br)c(C)n(-c2ccc(F)cc2)c(=O)c1C(=O)O.Cc1c(C)c(C)n(-c2ccc(F)cc2)c(=O)c1C(=O)O.
What is the InChIKey of 5-bromo-1-(4-fluorophenyl)-4,6-dimethyl-2-oxopyridine-3-carboxylic acid;1-(4-fluorophenyl)-4,5,6-trimethyl-2-oxopyridine-3-carboxylic acid?
The InChIKey is VDAVLDDQYONFIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNO3.C14H11BrFNO3/c1-8-9(2)13(15(19)20)14(18)17(10(8)3)12-6-4-11(16)5-7-12;1-7-11(14(19)20)13(18)17(8(2)12(7)15)10-5-3-9(16)4-6-10/h4-7H,1-3H3,(H,19,20);3-6H,1-2H3,(H,19,20).
What are the key properties of 5-bromo-1-(4-fluorophenyl)-4,6-dimethyl-2-oxopyridine-3-carboxylic acid;1-(4-fluorophenyl)-4,5,6-trimethyl-2-oxopyridine-3-carboxylic acid?
5-bromo-1-(4-fluorophenyl)-4,6-dimethyl-2-oxopyridine-3-carboxylic acid;1-(4-fluorophenyl)-4,5,6-trimethyl-2-oxopyridine-3-carboxylic acid has a molecular weight of 615.43 g/mol, XLogP of 5.65, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-(4-fluorophenyl)-4,6-dimethyl-2-oxopyridine-3-carboxylic acid;1-(4-fluorophenyl)-4,5,6-trimethyl-2-oxopyridine-3-carboxylic acid is sourced from PubChem (CID 167678195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).