2-thiophen-2-yl-2-[[6-(trifluoromethyl)-2-pyridinyl]amino]acetic acid

C12H9F3N2O2S — CID 115284496

IUPAC2-thiophen-2-yl-2-[[6-(trifluoromethyl)-2-pyridinyl]amino]acetic acid
SMILESO=C(O)C(Nc1cccc(C(F)(F)F)n1)c1cccs1
InChIInChI=1S/C12H9F3N2O2S/c13-12(14,15)8-4-1-5-9(16-8)17-10(11(18)19)7-3-2-6-20-7/h1-6,10H,(H,16,17)(H,18,19)
InChIKeyXFCNRHCVKWCCNQ-UHFFFAOYSA-N
MW302.28 g/mol
LogP3.40
Rot. Bonds4

About 2-thiophen-2-yl-2-[[6-(trifluoromethyl)-2-pyridinyl]amino]acetic acid

2-thiophen-2-yl-2-[[6-(trifluoromethyl)-2-pyridinyl]amino]acetic acid (PubChem CID 115284496) has the molecular formula C12H9F3N2O2S and a molecular weight of 302.28 g/mol. Its IUPAC name is 2-thiophen-2-yl-2-[[6-(trifluoromethyl)-2-pyridinyl]amino]acetic acid.

Molecular Properties

Compound Name2-thiophen-2-yl-2-[[6-(trifluoromethyl)-2-pyridinyl]amino]acetic acid
PubChem CID115284496
Molecular FormulaC12H9F3N2O2S
Molecular Weight302.28 g/mol
Exact Mass302.03
IUPAC Name2-thiophen-2-yl-2-[[6-(trifluoromethyl)-2-pyridinyl]amino]acetic acid
SMILESO=C(O)C(Nc1cccc(C(F)(F)F)n1)c1cccs1
InChIInChI=1S/C12H9F3N2O2S/c13-12(14,15)8-4-1-5-9(16-8)17-10(11(18)19)7-3-2-6-20-7/h1-6,10H,(H,16,17)(H,18,19)
InChIKeyXFCNRHCVKWCCNQ-UHFFFAOYSA-N
XLogP3.40
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.28
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-thiophen-2-yl-2-[[6-(trifluoromethyl)-2-pyridinyl]amino]acetic acid?
The IUPAC name of 2-thiophen-2-yl-2-[[6-(trifluoromethyl)-2-pyridinyl]amino]acetic acid (CID 115284496) is 2-thiophen-2-yl-2-[[6-(trifluoromethyl)-2-pyridinyl]amino]acetic acid.
What is the SMILES notation for 2-thiophen-2-yl-2-[[6-(trifluoromethyl)-2-pyridinyl]amino]acetic acid?
The canonical SMILES for 2-thiophen-2-yl-2-[[6-(trifluoromethyl)-2-pyridinyl]amino]acetic acid is O=C(O)C(Nc1cccc(C(F)(F)F)n1)c1cccs1.
What is the InChIKey of 2-thiophen-2-yl-2-[[6-(trifluoromethyl)-2-pyridinyl]amino]acetic acid?
The InChIKey is XFCNRHCVKWCCNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F3N2O2S/c13-12(14,15)8-4-1-5-9(16-8)17-10(11(18)19)7-3-2-6-20-7/h1-6,10H,(H,16,17)(H,18,19).
What are the key properties of 2-thiophen-2-yl-2-[[6-(trifluoromethyl)-2-pyridinyl]amino]acetic acid?
2-thiophen-2-yl-2-[[6-(trifluoromethyl)-2-pyridinyl]amino]acetic acid has a molecular weight of 302.28 g/mol, XLogP of 3.40, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thiophen-2-yl-2-[[6-(trifluoromethyl)-2-pyridinyl]amino]acetic acid is sourced from PubChem (CID 115284496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).