2-[6-pyrrolidin-1-yl-4-(trifluoromethyl)-3-pyridinyl]acetic acid

C12H13F3N2O2 — CID 66907990

IUPAC2-[6-pyrrolidin-1-yl-4-(trifluoromethyl)-3-pyridinyl]acetic acid
SMILESO=C(O)Cc1cnc(N2CCCC2)cc1C(F)(F)F
InChIInChI=1S/C12H13F3N2O2/c13-12(14,15)9-6-10(17-3-1-2-4-17)16-7-8(9)5-11(18)19/h6-7H,1-5H2,(H,18,19)
InChIKeyHAVMHSMNUKHDGZ-UHFFFAOYSA-N
MW274.24 g/mol
LogP2.33
Rot. Bonds3

About 2-[6-pyrrolidin-1-yl-4-(trifluoromethyl)-3-pyridinyl]acetic acid

2-[6-pyrrolidin-1-yl-4-(trifluoromethyl)-3-pyridinyl]acetic acid (PubChem CID 66907990) has the molecular formula C12H13F3N2O2 and a molecular weight of 274.24 g/mol. Its IUPAC name is 2-[6-pyrrolidin-1-yl-4-(trifluoromethyl)-3-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[6-pyrrolidin-1-yl-4-(trifluoromethyl)-3-pyridinyl]acetic acid
PubChem CID66907990
Molecular FormulaC12H13F3N2O2
Molecular Weight274.24 g/mol
Exact Mass274.09
IUPAC Name2-[6-pyrrolidin-1-yl-4-(trifluoromethyl)-3-pyridinyl]acetic acid
SMILESO=C(O)Cc1cnc(N2CCCC2)cc1C(F)(F)F
InChIInChI=1S/C12H13F3N2O2/c13-12(14,15)9-6-10(17-3-1-2-4-17)16-7-8(9)5-11(18)19/h6-7H,1-5H2,(H,18,19)
InChIKeyHAVMHSMNUKHDGZ-UHFFFAOYSA-N
XLogP2.33
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.24
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[6-pyrrolidin-1-yl-4-(trifluoromethyl)-3-pyridinyl]acetic acid?
The IUPAC name of 2-[6-pyrrolidin-1-yl-4-(trifluoromethyl)-3-pyridinyl]acetic acid (CID 66907990) is 2-[6-pyrrolidin-1-yl-4-(trifluoromethyl)-3-pyridinyl]acetic acid.
What is the SMILES notation for 2-[6-pyrrolidin-1-yl-4-(trifluoromethyl)-3-pyridinyl]acetic acid?
The canonical SMILES for 2-[6-pyrrolidin-1-yl-4-(trifluoromethyl)-3-pyridinyl]acetic acid is O=C(O)Cc1cnc(N2CCCC2)cc1C(F)(F)F.
What is the InChIKey of 2-[6-pyrrolidin-1-yl-4-(trifluoromethyl)-3-pyridinyl]acetic acid?
The InChIKey is HAVMHSMNUKHDGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N2O2/c13-12(14,15)9-6-10(17-3-1-2-4-17)16-7-8(9)5-11(18)19/h6-7H,1-5H2,(H,18,19).
What are the key properties of 2-[6-pyrrolidin-1-yl-4-(trifluoromethyl)-3-pyridinyl]acetic acid?
2-[6-pyrrolidin-1-yl-4-(trifluoromethyl)-3-pyridinyl]acetic acid has a molecular weight of 274.24 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-pyrrolidin-1-yl-4-(trifluoromethyl)-3-pyridinyl]acetic acid is sourced from PubChem (CID 66907990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).