2-cyclopropyl-2-[3-(trifluoromethyl)-2-pyridinyl]acetic acid

C11H10F3NO2 — CID 175669164

IUPAC2-cyclopropyl-2-[3-(trifluoromethyl)-2-pyridinyl]acetic acid
SMILESO=C(O)C(c1ncccc1C(F)(F)F)C1CC1
InChIInChI=1S/C11H10F3NO2/c12-11(13,14)7-2-1-5-15-9(7)8(10(16)17)6-3-4-6/h1-2,5-6,8H,3-4H2,(H,16,17)
InChIKeyDMRPDZBMCKHINE-UHFFFAOYSA-N
MW245.20 g/mol
LogP2.68
Rot. Bonds3

About 2-cyclopropyl-2-[3-(trifluoromethyl)-2-pyridinyl]acetic acid

2-cyclopropyl-2-[3-(trifluoromethyl)-2-pyridinyl]acetic acid (PubChem CID 175669164) has the molecular formula C11H10F3NO2 and a molecular weight of 245.20 g/mol. Its IUPAC name is 2-cyclopropyl-2-[3-(trifluoromethyl)-2-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-[3-(trifluoromethyl)-2-pyridinyl]acetic acid
PubChem CID175669164
Molecular FormulaC11H10F3NO2
Molecular Weight245.20 g/mol
Exact Mass245.07
IUPAC Name2-cyclopropyl-2-[3-(trifluoromethyl)-2-pyridinyl]acetic acid
SMILESO=C(O)C(c1ncccc1C(F)(F)F)C1CC1
InChIInChI=1S/C11H10F3NO2/c12-11(13,14)7-2-1-5-15-9(7)8(10(16)17)6-3-4-6/h1-2,5-6,8H,3-4H2,(H,16,17)
InChIKeyDMRPDZBMCKHINE-UHFFFAOYSA-N
XLogP2.68
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.20
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-[3-(trifluoromethyl)-2-pyridinyl]acetic acid?
The IUPAC name of 2-cyclopropyl-2-[3-(trifluoromethyl)-2-pyridinyl]acetic acid (CID 175669164) is 2-cyclopropyl-2-[3-(trifluoromethyl)-2-pyridinyl]acetic acid.
What is the SMILES notation for 2-cyclopropyl-2-[3-(trifluoromethyl)-2-pyridinyl]acetic acid?
The canonical SMILES for 2-cyclopropyl-2-[3-(trifluoromethyl)-2-pyridinyl]acetic acid is O=C(O)C(c1ncccc1C(F)(F)F)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-[3-(trifluoromethyl)-2-pyridinyl]acetic acid?
The InChIKey is DMRPDZBMCKHINE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3NO2/c12-11(13,14)7-2-1-5-15-9(7)8(10(16)17)6-3-4-6/h1-2,5-6,8H,3-4H2,(H,16,17).
What are the key properties of 2-cyclopropyl-2-[3-(trifluoromethyl)-2-pyridinyl]acetic acid?
2-cyclopropyl-2-[3-(trifluoromethyl)-2-pyridinyl]acetic acid has a molecular weight of 245.20 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-[3-(trifluoromethyl)-2-pyridinyl]acetic acid is sourced from PubChem (CID 175669164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).