2-[1-[3-cyano-6-(trifluoromethyl)-2-pyridinyl]azetidin-3-yl]acetic acid

C12H10F3N3O2 — CID 79868711

IUPAC2-[1-[3-cyano-6-(trifluoromethyl)-2-pyridinyl]azetidin-3-yl]acetic acid
SMILESN#Cc1ccc(C(F)(F)F)nc1N1CC(CC(=O)O)C1
InChIInChI=1S/C12H10F3N3O2/c13-12(14,15)9-2-1-8(4-16)11(17-9)18-5-7(6-18)3-10(19)20/h1-2,7H,3,5-6H2,(H,19,20)
InChIKeyUYFMWJVEEPUEPG-UHFFFAOYSA-N
MW285.22 g/mol
LogP1.88
Rot. Bonds3

About 2-[1-[3-cyano-6-(trifluoromethyl)-2-pyridinyl]azetidin-3-yl]acetic acid

2-[1-[3-cyano-6-(trifluoromethyl)-2-pyridinyl]azetidin-3-yl]acetic acid (PubChem CID 79868711) has the molecular formula C12H10F3N3O2 and a molecular weight of 285.22 g/mol. Its IUPAC name is 2-[1-[3-cyano-6-(trifluoromethyl)-2-pyridinyl]azetidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[3-cyano-6-(trifluoromethyl)-2-pyridinyl]azetidin-3-yl]acetic acid
PubChem CID79868711
Molecular FormulaC12H10F3N3O2
Molecular Weight285.22 g/mol
Exact Mass285.07
IUPAC Name2-[1-[3-cyano-6-(trifluoromethyl)-2-pyridinyl]azetidin-3-yl]acetic acid
SMILESN#Cc1ccc(C(F)(F)F)nc1N1CC(CC(=O)O)C1
InChIInChI=1S/C12H10F3N3O2/c13-12(14,15)9-2-1-8(4-16)11(17-9)18-5-7(6-18)3-10(19)20/h1-2,7H,3,5-6H2,(H,19,20)
InChIKeyUYFMWJVEEPUEPG-UHFFFAOYSA-N
XLogP1.88
TPSA77.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.22
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[3-cyano-6-(trifluoromethyl)-2-pyridinyl]azetidin-3-yl]acetic acid?
The IUPAC name of 2-[1-[3-cyano-6-(trifluoromethyl)-2-pyridinyl]azetidin-3-yl]acetic acid (CID 79868711) is 2-[1-[3-cyano-6-(trifluoromethyl)-2-pyridinyl]azetidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-[3-cyano-6-(trifluoromethyl)-2-pyridinyl]azetidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-[3-cyano-6-(trifluoromethyl)-2-pyridinyl]azetidin-3-yl]acetic acid is N#Cc1ccc(C(F)(F)F)nc1N1CC(CC(=O)O)C1.
What is the InChIKey of 2-[1-[3-cyano-6-(trifluoromethyl)-2-pyridinyl]azetidin-3-yl]acetic acid?
The InChIKey is UYFMWJVEEPUEPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3N3O2/c13-12(14,15)9-2-1-8(4-16)11(17-9)18-5-7(6-18)3-10(19)20/h1-2,7H,3,5-6H2,(H,19,20).
What are the key properties of 2-[1-[3-cyano-6-(trifluoromethyl)-2-pyridinyl]azetidin-3-yl]acetic acid?
2-[1-[3-cyano-6-(trifluoromethyl)-2-pyridinyl]azetidin-3-yl]acetic acid has a molecular weight of 285.22 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[3-cyano-6-(trifluoromethyl)-2-pyridinyl]azetidin-3-yl]acetic acid is sourced from PubChem (CID 79868711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).