2-[3-chloro-2-methyl-6-oxo-5-(trifluoromethyl)-1-pyridinyl]acetic acid

C9H7ClF3NO3 — CID 142458883

IUPAC2-[3-chloro-2-methyl-6-oxo-5-(trifluoromethyl)-1-pyridinyl]acetic acid
SMILESCc1c(Cl)cc(C(F)(F)F)c(=O)n1CC(=O)O
InChIInChI=1S/C9H7ClF3NO3/c1-4-6(10)2-5(9(11,12)13)8(17)14(4)3-7(15)16/h2H,3H2,1H3,(H,15,16)
InChIKeyYRCLHBSLRIHRIT-UHFFFAOYSA-N
MW269.61 g/mol
LogP1.91
Rot. Bonds2

About 2-[3-chloro-2-methyl-6-oxo-5-(trifluoromethyl)-1-pyridinyl]acetic acid

2-[3-chloro-2-methyl-6-oxo-5-(trifluoromethyl)-1-pyridinyl]acetic acid (PubChem CID 142458883) has the molecular formula C9H7ClF3NO3 and a molecular weight of 269.61 g/mol. Its IUPAC name is 2-[3-chloro-2-methyl-6-oxo-5-(trifluoromethyl)-1-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[3-chloro-2-methyl-6-oxo-5-(trifluoromethyl)-1-pyridinyl]acetic acid
PubChem CID142458883
Molecular FormulaC9H7ClF3NO3
Molecular Weight269.61 g/mol
Exact Mass269.01
IUPAC Name2-[3-chloro-2-methyl-6-oxo-5-(trifluoromethyl)-1-pyridinyl]acetic acid
SMILESCc1c(Cl)cc(C(F)(F)F)c(=O)n1CC(=O)O
InChIInChI=1S/C9H7ClF3NO3/c1-4-6(10)2-5(9(11,12)13)8(17)14(4)3-7(15)16/h2H,3H2,1H3,(H,15,16)
InChIKeyYRCLHBSLRIHRIT-UHFFFAOYSA-N
XLogP1.91
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.61
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-Oxo-3-(trifluoromethyl)-1,2-dihydropyridin-1-yl]acetic acid
CID 17535105
1-Methyl-6-oxo-5-(trifluoromethyl)pyridine-2-carboxylic acid
CID 125497669
2-[6-Methyl-2-oxo-3-(trifluoromethyl)pyridin-1-yl]acetic acid
CID 142458848
2-[5-Fluoro-2-oxo-3-(trifluoromethyl)pyridin-1-yl]acetic acid
CID 142458850
2-[5-Chloro-3-(difluoromethyl)-2-oxopyridin-1-yl]acetic acid
CID 142458866
2-[3-(Difluoromethyl)-2-oxopyridin-1-yl]acetic acid
CID 142458900
1-Ethyl-6-oxo-5-(trifluoromethyl)pyridine-2-carboxylic acid
CID 125499304

Frequently Asked Questions

What is the IUPAC name of 2-[3-chloro-2-methyl-6-oxo-5-(trifluoromethyl)-1-pyridinyl]acetic acid?
The IUPAC name of 2-[3-chloro-2-methyl-6-oxo-5-(trifluoromethyl)-1-pyridinyl]acetic acid (CID 142458883) is 2-[3-chloro-2-methyl-6-oxo-5-(trifluoromethyl)-1-pyridinyl]acetic acid.
What is the SMILES notation for 2-[3-chloro-2-methyl-6-oxo-5-(trifluoromethyl)-1-pyridinyl]acetic acid?
The canonical SMILES for 2-[3-chloro-2-methyl-6-oxo-5-(trifluoromethyl)-1-pyridinyl]acetic acid is Cc1c(Cl)cc(C(F)(F)F)c(=O)n1CC(=O)O.
What is the InChIKey of 2-[3-chloro-2-methyl-6-oxo-5-(trifluoromethyl)-1-pyridinyl]acetic acid?
The InChIKey is YRCLHBSLRIHRIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClF3NO3/c1-4-6(10)2-5(9(11,12)13)8(17)14(4)3-7(15)16/h2H,3H2,1H3,(H,15,16).
What are the key properties of 2-[3-chloro-2-methyl-6-oxo-5-(trifluoromethyl)-1-pyridinyl]acetic acid?
2-[3-chloro-2-methyl-6-oxo-5-(trifluoromethyl)-1-pyridinyl]acetic acid has a molecular weight of 269.61 g/mol, XLogP of 1.91, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-chloro-2-methyl-6-oxo-5-(trifluoromethyl)-1-pyridinyl]acetic acid is sourced from PubChem (CID 142458883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).