5-amino-1-methyl-6-oxo-3-(trifluoromethyl)pyridine-2-carboxylic acid

C8H7F3N2O3 — CID 84727216

IUPAC5-amino-1-methyl-6-oxo-3-(trifluoromethyl)pyridine-2-carboxylic acid
SMILESCn1c(C(=O)O)c(C(F)(F)F)cc(N)c1=O
InChIInChI=1S/C8H7F3N2O3/c1-13-5(7(15)16)3(8(9,10)11)2-4(12)6(13)14/h2H,12H2,1H3,(H,15,16)
InChIKeyIXRZDEHKXTXUHU-UHFFFAOYSA-N
MW236.15 g/mol
LogP0.68
Rot. Bonds1

About 5-amino-1-methyl-6-oxo-3-(trifluoromethyl)pyridine-2-carboxylic acid

5-amino-1-methyl-6-oxo-3-(trifluoromethyl)pyridine-2-carboxylic acid (PubChem CID 84727216) has the molecular formula C8H7F3N2O3 and a molecular weight of 236.15 g/mol. Its IUPAC name is 5-amino-1-methyl-6-oxo-3-(trifluoromethyl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-amino-1-methyl-6-oxo-3-(trifluoromethyl)pyridine-2-carboxylic acid
PubChem CID84727216
Molecular FormulaC8H7F3N2O3
Molecular Weight236.15 g/mol
Exact Mass236.04
IUPAC Name5-amino-1-methyl-6-oxo-3-(trifluoromethyl)pyridine-2-carboxylic acid
SMILESCn1c(C(=O)O)c(C(F)(F)F)cc(N)c1=O
InChIInChI=1S/C8H7F3N2O3/c1-13-5(7(15)16)3(8(9,10)11)2-4(12)6(13)14/h2H,12H2,1H3,(H,15,16)
InChIKeyIXRZDEHKXTXUHU-UHFFFAOYSA-N
XLogP0.68
TPSA85.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.15
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-oxo-4-[propyl(4,4,4-trifluorobutyl)carbamoyl]-1H-pyridine-2-carboxylic acid
CID 129054321
4-[methyl(4,4,4-trifluorobutyl)carbamoyl]-6-oxo-1H-pyridine-2-carboxylic acid
CID 129054533
2-[3-Amino-6-methyl-2-oxo-4-(trifluoromethyl)pyridin-1-yl]acetic acid
CID 141878641
1-Methyl-6-oxo-3-(trifluoromethyl)pyridine-2-carboxylic acid
CID 84724729
5-amino-6-oxo-3-(trifluoromethyl)-1H-pyridine-2-carboxylic acid
CID 84724930
5-Chloro-1-methyl-6-oxo-3-(trifluoromethyl)pyridine-2-carboxylic acid
CID 84729312
4-(Difluoromethyl)-6-hydroxy-5-methylpicolinic acid
CID 118823912
4-(Difluoromethyl)-5-fluoro-6-hydroxypicolinic acid
CID 118845801
5-amino-4-(difluoromethyl)-6-oxo-1H-pyridine-2-carboxylic acid
CID 130104908
5-amino-3-(difluoromethyl)-6-oxo-1H-pyridine-2-carboxylic acid
CID 130104914
5-Amino-1,3-dimethyl-6-oxopyridine-2-carboxylic acid
CID 84718627
5-Amino-3-ethyl-1-methyl-6-oxopyridine-2-carboxylic acid
CID 84720711

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-methyl-6-oxo-3-(trifluoromethyl)pyridine-2-carboxylic acid?
The IUPAC name of 5-amino-1-methyl-6-oxo-3-(trifluoromethyl)pyridine-2-carboxylic acid (CID 84727216) is 5-amino-1-methyl-6-oxo-3-(trifluoromethyl)pyridine-2-carboxylic acid.
What is the SMILES notation for 5-amino-1-methyl-6-oxo-3-(trifluoromethyl)pyridine-2-carboxylic acid?
The canonical SMILES for 5-amino-1-methyl-6-oxo-3-(trifluoromethyl)pyridine-2-carboxylic acid is Cn1c(C(=O)O)c(C(F)(F)F)cc(N)c1=O.
What is the InChIKey of 5-amino-1-methyl-6-oxo-3-(trifluoromethyl)pyridine-2-carboxylic acid?
The InChIKey is IXRZDEHKXTXUHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3N2O3/c1-13-5(7(15)16)3(8(9,10)11)2-4(12)6(13)14/h2H,12H2,1H3,(H,15,16).
What are the key properties of 5-amino-1-methyl-6-oxo-3-(trifluoromethyl)pyridine-2-carboxylic acid?
5-amino-1-methyl-6-oxo-3-(trifluoromethyl)pyridine-2-carboxylic acid has a molecular weight of 236.15 g/mol, XLogP of 0.68, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-methyl-6-oxo-3-(trifluoromethyl)pyridine-2-carboxylic acid is sourced from PubChem (CID 84727216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).