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

C14H10F3NO3 — CID 57441129

IUPAC4-methyl-2-oxo-6-[3-(trifluoromethyl)phenyl]-1H-pyridine-3-carboxylic acid
SMILESCc1cc(-c2cccc(C(F)(F)F)c2)[nH]c(=O)c1C(=O)O
InChIInChI=1S/C14H10F3NO3/c1-7-5-10(18-12(19)11(7)13(20)21)8-3-2-4-9(6-8)14(15,16)17/h2-6H,1H3,(H,18,19)(H,20,21)
InChIKeyNGIRESWETDAKLF-UHFFFAOYSA-N
MW297.23 g/mol
LogP3.07
Rot. Bonds2

About 4-methyl-2-oxo-6-[3-(trifluoromethyl)phenyl]-1H-pyridine-3-carboxylic acid

4-methyl-2-oxo-6-[3-(trifluoromethyl)phenyl]-1H-pyridine-3-carboxylic acid (PubChem CID 57441129) has the molecular formula C14H10F3NO3 and a molecular weight of 297.23 g/mol. Its IUPAC name is 4-methyl-2-oxo-6-[3-(trifluoromethyl)phenyl]-1H-pyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-methyl-2-oxo-6-[3-(trifluoromethyl)phenyl]-1H-pyridine-3-carboxylic acid
PubChem CID57441129
Molecular FormulaC14H10F3NO3
Molecular Weight297.23 g/mol
Exact Mass297.06
IUPAC Name4-methyl-2-oxo-6-[3-(trifluoromethyl)phenyl]-1H-pyridine-3-carboxylic acid
SMILESCc1cc(-c2cccc(C(F)(F)F)c2)[nH]c(=O)c1C(=O)O
InChIInChI=1S/C14H10F3NO3/c1-7-5-10(18-12(19)11(7)13(20)21)8-3-2-4-9(6-8)14(15,16)17/h2-6H,1H3,(H,18,19)(H,20,21)
InChIKeyNGIRESWETDAKLF-UHFFFAOYSA-N
XLogP3.07
TPSA70.16 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.23
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-oxo-6-[3-(trifluoromethyl)phenyl]-1H-pyridine-3-carboxylic acid?
The IUPAC name of 4-methyl-2-oxo-6-[3-(trifluoromethyl)phenyl]-1H-pyridine-3-carboxylic acid (CID 57441129) is 4-methyl-2-oxo-6-[3-(trifluoromethyl)phenyl]-1H-pyridine-3-carboxylic acid.
What is the SMILES notation for 4-methyl-2-oxo-6-[3-(trifluoromethyl)phenyl]-1H-pyridine-3-carboxylic acid?
The canonical SMILES for 4-methyl-2-oxo-6-[3-(trifluoromethyl)phenyl]-1H-pyridine-3-carboxylic acid is Cc1cc(-c2cccc(C(F)(F)F)c2)[nH]c(=O)c1C(=O)O.
What is the InChIKey of 4-methyl-2-oxo-6-[3-(trifluoromethyl)phenyl]-1H-pyridine-3-carboxylic acid?
The InChIKey is NGIRESWETDAKLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3NO3/c1-7-5-10(18-12(19)11(7)13(20)21)8-3-2-4-9(6-8)14(15,16)17/h2-6H,1H3,(H,18,19)(H,20,21).
What are the key properties of 4-methyl-2-oxo-6-[3-(trifluoromethyl)phenyl]-1H-pyridine-3-carboxylic acid?
4-methyl-2-oxo-6-[3-(trifluoromethyl)phenyl]-1H-pyridine-3-carboxylic acid has a molecular weight of 297.23 g/mol, XLogP of 3.07, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-oxo-6-[3-(trifluoromethyl)phenyl]-1H-pyridine-3-carboxylic acid is sourced from PubChem (CID 57441129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).