2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]acetic acid

C8H6ClF3N2O2 — CID 24693720

IUPAC2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]acetic acid
SMILESO=C(O)CNc1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C8H6ClF3N2O2/c9-5-1-4(8(10,11)12)2-13-7(5)14-3-6(15)16/h1-2H,3H2,(H,13,14)(H,15,16)
InChIKeyVGTKYLYNVSQFMH-UHFFFAOYSA-N
MW254.59 g/mol
LogP2.25
Rot. Bonds3

About 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]acetic acid

2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]acetic acid (PubChem CID 24693720) has the molecular formula C8H6ClF3N2O2 and a molecular weight of 254.59 g/mol. Its IUPAC name is 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]acetic acid
PubChem CID24693720
Molecular FormulaC8H6ClF3N2O2
Molecular Weight254.59 g/mol
Exact Mass254.01
IUPAC Name2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]acetic acid
SMILESO=C(O)CNc1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C8H6ClF3N2O2/c9-5-1-4(8(10,11)12)2-13-7(5)14-3-6(15)16/h1-2H,3H2,(H,13,14)(H,15,16)
InChIKeyVGTKYLYNVSQFMH-UHFFFAOYSA-N
XLogP2.25
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.59
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]acetic acid?
The IUPAC name of 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]acetic acid (CID 24693720) is 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]acetic acid.
What is the SMILES notation for 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]acetic acid?
The canonical SMILES for 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]acetic acid is O=C(O)CNc1ncc(C(F)(F)F)cc1Cl.
What is the InChIKey of 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]acetic acid?
The InChIKey is VGTKYLYNVSQFMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClF3N2O2/c9-5-1-4(8(10,11)12)2-13-7(5)14-3-6(15)16/h1-2H,3H2,(H,13,14)(H,15,16).
What are the key properties of 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]acetic acid?
2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]acetic acid has a molecular weight of 254.59 g/mol, XLogP of 2.25, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]acetic acid is sourced from PubChem (CID 24693720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).