2-[2-methyl-6-oxo-4-(trifluoromethyl)-1-pyridinyl]acetic acid

C9H8F3NO3 — CID 102543981

IUPAC2-[2-methyl-6-oxo-4-(trifluoromethyl)-1-pyridinyl]acetic acid
SMILESCc1cc(C(F)(F)F)cc(=O)n1CC(=O)O
InChIInChI=1S/C9H8F3NO3/c1-5-2-6(9(10,11)12)3-7(14)13(5)4-8(15)16/h2-3H,4H2,1H3,(H,15,16)
InChIKeyNOUGDTSSHXWPEA-UHFFFAOYSA-N
MW235.16 g/mol
LogP1.26
Rot. Bonds2

About 2-[2-methyl-6-oxo-4-(trifluoromethyl)-1-pyridinyl]acetic acid

2-[2-methyl-6-oxo-4-(trifluoromethyl)-1-pyridinyl]acetic acid (PubChem CID 102543981) has the molecular formula C9H8F3NO3 and a molecular weight of 235.16 g/mol. Its IUPAC name is 2-[2-methyl-6-oxo-4-(trifluoromethyl)-1-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[2-methyl-6-oxo-4-(trifluoromethyl)-1-pyridinyl]acetic acid
PubChem CID102543981
Molecular FormulaC9H8F3NO3
Molecular Weight235.16 g/mol
Exact Mass235.05
IUPAC Name2-[2-methyl-6-oxo-4-(trifluoromethyl)-1-pyridinyl]acetic acid
SMILESCc1cc(C(F)(F)F)cc(=O)n1CC(=O)O
InChIInChI=1S/C9H8F3NO3/c1-5-2-6(9(10,11)12)3-7(14)13(5)4-8(15)16/h2-3H,4H2,1H3,(H,15,16)
InChIKeyNOUGDTSSHXWPEA-UHFFFAOYSA-N
XLogP1.26
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.16
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-Methyl-2-oxo-1,2-dihydropyridin-1-yl)acetic acid
CID 1096408
2-(2-Oxo-5-(trifluoromethyl)-1,2-dihydropyridin-1-yl)acetic acid
CID 702585
2-[2-Oxo-5-(trifluoromethyl)-1-pyridinyl]acetate
CID 3611941
2-[5-(Difluoromethyl)-2-oxo-1,2-dihydropyridin-1-yl]acetic acid
CID 122240432
2-[2-Oxo-4-(trifluoromethyl)pyridin-1-yl]acetic acid
CID 132372717
2-[5-Methyl-2-oxo-3-(trifluoromethyl)pyridin-1-yl]acetic acid
CID 135363600
2-[[3-Methyl-3-(trifluoromethyl)cyclohepta-1,4,6-trien-1-yl]-prop-2-ynoylamino]acetic acid
CID 139496434
2-[[3-Methyl-3-(trifluoromethyl)cyclohepta-1,4,6-trien-1-yl]-prop-2-enoylamino]acetic acid
CID 139496493
2-[3-Amino-6-methyl-2-oxo-4-(trifluoromethyl)pyridin-1-yl]acetic acid
CID 141878641
2-[6-Methyl-2-oxo-3-(trifluoromethyl)pyridin-1-yl]acetic acid
CID 142458848
2-[2-Oxo-3,5-bis(trifluoromethyl)pyridin-1-yl]acetic acid
CID 142458865
2-[2-Oxo-4-(trifluoromethyl)-1-pyridinyl]propanoic acid
CID 178641061

Frequently Asked Questions

What is the IUPAC name of 2-[2-methyl-6-oxo-4-(trifluoromethyl)-1-pyridinyl]acetic acid?
The IUPAC name of 2-[2-methyl-6-oxo-4-(trifluoromethyl)-1-pyridinyl]acetic acid (CID 102543981) is 2-[2-methyl-6-oxo-4-(trifluoromethyl)-1-pyridinyl]acetic acid.
What is the SMILES notation for 2-[2-methyl-6-oxo-4-(trifluoromethyl)-1-pyridinyl]acetic acid?
The canonical SMILES for 2-[2-methyl-6-oxo-4-(trifluoromethyl)-1-pyridinyl]acetic acid is Cc1cc(C(F)(F)F)cc(=O)n1CC(=O)O.
What is the InChIKey of 2-[2-methyl-6-oxo-4-(trifluoromethyl)-1-pyridinyl]acetic acid?
The InChIKey is NOUGDTSSHXWPEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F3NO3/c1-5-2-6(9(10,11)12)3-7(14)13(5)4-8(15)16/h2-3H,4H2,1H3,(H,15,16).
What are the key properties of 2-[2-methyl-6-oxo-4-(trifluoromethyl)-1-pyridinyl]acetic acid?
2-[2-methyl-6-oxo-4-(trifluoromethyl)-1-pyridinyl]acetic acid has a molecular weight of 235.16 g/mol, XLogP of 1.26, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methyl-6-oxo-4-(trifluoromethyl)-1-pyridinyl]acetic acid is sourced from PubChem (CID 102543981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).