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

C12H12F3NO3 — CID 81318804

IUPAC2-[1-[[2-oxo-6-(trifluoromethyl)-1-pyridinyl]methyl]cyclopropyl]acetic acid
SMILESO=C(O)CC1(Cn2c(C(F)(F)F)cccc2=O)CC1
InChIInChI=1S/C12H12F3NO3/c13-12(14,15)8-2-1-3-9(17)16(8)7-11(4-5-11)6-10(18)19/h1-3H,4-7H2,(H,18,19)
InChIKeyLOVJBDLBBPOZHS-UHFFFAOYSA-N
MW275.23 g/mol
LogP2.12
Rot. Bonds4

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

2-[1-[[2-oxo-6-(trifluoromethyl)-1-pyridinyl]methyl]cyclopropyl]acetic acid (PubChem CID 81318804) has the molecular formula C12H12F3NO3 and a molecular weight of 275.23 g/mol. Its IUPAC name is 2-[1-[[2-oxo-6-(trifluoromethyl)-1-pyridinyl]methyl]cyclopropyl]acetic acid.

Molecular Properties

Compound Name2-[1-[[2-oxo-6-(trifluoromethyl)-1-pyridinyl]methyl]cyclopropyl]acetic acid
PubChem CID81318804
Molecular FormulaC12H12F3NO3
Molecular Weight275.23 g/mol
Exact Mass275.08
IUPAC Name2-[1-[[2-oxo-6-(trifluoromethyl)-1-pyridinyl]methyl]cyclopropyl]acetic acid
SMILESO=C(O)CC1(Cn2c(C(F)(F)F)cccc2=O)CC1
InChIInChI=1S/C12H12F3NO3/c13-12(14,15)8-2-1-3-9(17)16(8)7-11(4-5-11)6-10(18)19/h1-3H,4-7H2,(H,18,19)
InChIKeyLOVJBDLBBPOZHS-UHFFFAOYSA-N
XLogP2.12
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.23
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[[2-oxo-6-(trifluoromethyl)-1-pyridinyl]methyl]cyclopropyl]acetic acid?
The IUPAC name of 2-[1-[[2-oxo-6-(trifluoromethyl)-1-pyridinyl]methyl]cyclopropyl]acetic acid (CID 81318804) is 2-[1-[[2-oxo-6-(trifluoromethyl)-1-pyridinyl]methyl]cyclopropyl]acetic acid.
What is the SMILES notation for 2-[1-[[2-oxo-6-(trifluoromethyl)-1-pyridinyl]methyl]cyclopropyl]acetic acid?
The canonical SMILES for 2-[1-[[2-oxo-6-(trifluoromethyl)-1-pyridinyl]methyl]cyclopropyl]acetic acid is O=C(O)CC1(Cn2c(C(F)(F)F)cccc2=O)CC1.
What is the InChIKey of 2-[1-[[2-oxo-6-(trifluoromethyl)-1-pyridinyl]methyl]cyclopropyl]acetic acid?
The InChIKey is LOVJBDLBBPOZHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3NO3/c13-12(14,15)8-2-1-3-9(17)16(8)7-11(4-5-11)6-10(18)19/h1-3H,4-7H2,(H,18,19).
What are the key properties of 2-[1-[[2-oxo-6-(trifluoromethyl)-1-pyridinyl]methyl]cyclopropyl]acetic acid?
2-[1-[[2-oxo-6-(trifluoromethyl)-1-pyridinyl]methyl]cyclopropyl]acetic acid has a molecular weight of 275.23 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[2-oxo-6-(trifluoromethyl)-1-pyridinyl]methyl]cyclopropyl]acetic acid is sourced from PubChem (CID 81318804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).