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

C16H14F3NO3 — CID 22159919

IUPAC1-ethyl-6-methyl-4-oxo-2-[4-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid
SMILESCCn1c(C)cc(=O)c(C(=O)O)c1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H14F3NO3/c1-3-20-9(2)8-12(21)13(15(22)23)14(20)10-4-6-11(7-5-10)16(17,18)19/h4-8H,3H2,1-2H3,(H,22,23)
InChIKeyDNQHAMMQGLMECE-UHFFFAOYSA-N
MW325.29 g/mol
LogP3.56
Rot. Bonds3

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

1-ethyl-6-methyl-4-oxo-2-[4-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid (PubChem CID 22159919) has the molecular formula C16H14F3NO3 and a molecular weight of 325.29 g/mol. Its IUPAC name is 1-ethyl-6-methyl-4-oxo-2-[4-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name1-ethyl-6-methyl-4-oxo-2-[4-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid
PubChem CID22159919
Molecular FormulaC16H14F3NO3
Molecular Weight325.29 g/mol
Exact Mass325.09
IUPAC Name1-ethyl-6-methyl-4-oxo-2-[4-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid
SMILESCCn1c(C)cc(=O)c(C(=O)O)c1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H14F3NO3/c1-3-20-9(2)8-12(21)13(15(22)23)14(20)10-4-6-11(7-5-10)16(17,18)19/h4-8H,3H2,1-2H3,(H,22,23)
InChIKeyDNQHAMMQGLMECE-UHFFFAOYSA-N
XLogP3.56
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.29
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-6-methyl-4-oxo-2-[4-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid?
The IUPAC name of 1-ethyl-6-methyl-4-oxo-2-[4-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid (CID 22159919) is 1-ethyl-6-methyl-4-oxo-2-[4-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 1-ethyl-6-methyl-4-oxo-2-[4-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid?
The canonical SMILES for 1-ethyl-6-methyl-4-oxo-2-[4-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid is CCn1c(C)cc(=O)c(C(=O)O)c1-c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 1-ethyl-6-methyl-4-oxo-2-[4-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid?
The InChIKey is DNQHAMMQGLMECE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3NO3/c1-3-20-9(2)8-12(21)13(15(22)23)14(20)10-4-6-11(7-5-10)16(17,18)19/h4-8H,3H2,1-2H3,(H,22,23).
What are the key properties of 1-ethyl-6-methyl-4-oxo-2-[4-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid?
1-ethyl-6-methyl-4-oxo-2-[4-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid has a molecular weight of 325.29 g/mol, XLogP of 3.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-6-methyl-4-oxo-2-[4-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 22159919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).