5-bromo-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid

C14H9BrF3NO3 — CID 143779393

IUPAC5-bromo-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid
SMILESCc1c(Br)cc(C(=O)O)c(=O)n1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H9BrF3NO3/c1-7-11(15)6-10(13(21)22)12(20)19(7)9-4-2-3-8(5-9)14(16,17)18/h2-6H,1H3,(H,21,22)
InChIKeyRWAPUNSLQSPBPI-UHFFFAOYSA-N
MW376.13 g/mol
LogP3.63
Rot. Bonds2

About 5-bromo-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid

5-bromo-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid (PubChem CID 143779393) has the molecular formula C14H9BrF3NO3 and a molecular weight of 376.13 g/mol. Its IUPAC name is 5-bromo-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-bromo-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid
PubChem CID143779393
Molecular FormulaC14H9BrF3NO3
Molecular Weight376.13 g/mol
Exact Mass374.97
IUPAC Name5-bromo-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid
SMILESCc1c(Br)cc(C(=O)O)c(=O)n1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H9BrF3NO3/c1-7-11(15)6-10(13(21)22)12(20)19(7)9-4-2-3-8(5-9)14(16,17)18/h2-6H,1H3,(H,21,22)
InChIKeyRWAPUNSLQSPBPI-UHFFFAOYSA-N
XLogP3.63
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.13
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-hydroxy-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid
CID 70267707
5-ethenyl-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid
CID 141151685
5-(4-aminophenyl)sulfinyl-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid
CID 70304322
5-(5-amino-1,3,4-oxadiazol-2-yl)-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid
CID 90701309
2-methyl-1-[3-(trifluoromethyl)phenyl]pyrrole-3-carboxylic acid
CID 82362503
6-bromo-N,5-dimethyl-3-oxo-4-[3-(trifluoromethyl)phenyl]pyrazine-2-carboxamide
CID 66738659
6-acetyl-3-oxo-2-[3-(trifluoromethyl)phenyl]pyridazine-4-carboxylic acid
CID 100785698
5-acetyl-3-[3-(trifluoromethyl)phenyl]-1H-pyrimidine-2,4-dione
CID 80649586
5-(5-bromopyrimidin-2-yl)sulfinyl-N,6-dimethyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 11848090
5-bromo-6-methyl-3-[3-(trifluoromethyl)phenyl]-1H-pyrimidine-2,4-dione
CID 158849124
1-oxo-2-[3-(trifluoromethyl)phenyl]isoquinoline-4-carboxylic acid
CID 4101882
5-iodo-6-methyl-1-[3-(trifluoromethyl)phenyl]pyridin-2-one
CID 141151683

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid?
The IUPAC name of 5-bromo-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid (CID 143779393) is 5-bromo-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-bromo-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid?
The canonical SMILES for 5-bromo-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid is Cc1c(Br)cc(C(=O)O)c(=O)n1-c1cccc(C(F)(F)F)c1.
What is the InChIKey of 5-bromo-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid?
The InChIKey is RWAPUNSLQSPBPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrF3NO3/c1-7-11(15)6-10(13(21)22)12(20)19(7)9-4-2-3-8(5-9)14(16,17)18/h2-6H,1H3,(H,21,22).
What are the key properties of 5-bromo-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid?
5-bromo-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid has a molecular weight of 376.13 g/mol, XLogP of 3.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 143779393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).