2-[[4-(trifluoromethyl)pyridine-3-carbonyl]amino]acetic acid

C9H7F3N2O3 — CID 46835486

IUPAC2-[[4-(trifluoromethyl)pyridine-3-carbonyl]amino]acetic acid
SMILESO=C(O)CNC(=O)c1cnccc1C(F)(F)F
InChIInChI=1S/C9H7F3N2O3/c10-9(11,12)6-1-2-13-3-5(6)8(17)14-4-7(15)16/h1-3H,4H2,(H,14,17)(H,15,16)
InChIKeyAXMBYGGSBXWTEY-UHFFFAOYSA-N
MW248.16 g/mol
LogP0.91
Rot. Bonds3

About 2-[[4-(trifluoromethyl)pyridine-3-carbonyl]amino]acetic acid

2-[[4-(trifluoromethyl)pyridine-3-carbonyl]amino]acetic acid (PubChem CID 46835486) has the molecular formula C9H7F3N2O3 and a molecular weight of 248.16 g/mol. Its IUPAC name is 2-[[4-(trifluoromethyl)pyridine-3-carbonyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[4-(trifluoromethyl)pyridine-3-carbonyl]amino]acetic acid
PubChem CID46835486
Molecular FormulaC9H7F3N2O3
Molecular Weight248.16 g/mol
Exact Mass248.04
IUPAC Name2-[[4-(trifluoromethyl)pyridine-3-carbonyl]amino]acetic acid
SMILESO=C(O)CNC(=O)c1cnccc1C(F)(F)F
InChIInChI=1S/C9H7F3N2O3/c10-9(11,12)6-1-2-13-3-5(6)8(17)14-4-7(15)16/h1-3H,4H2,(H,14,17)(H,15,16)
InChIKeyAXMBYGGSBXWTEY-UHFFFAOYSA-N
XLogP0.91
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.16
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(trifluoromethyl)pyridine-3-carbonyl]amino]acetic acid?
The IUPAC name of 2-[[4-(trifluoromethyl)pyridine-3-carbonyl]amino]acetic acid (CID 46835486) is 2-[[4-(trifluoromethyl)pyridine-3-carbonyl]amino]acetic acid.
What is the SMILES notation for 2-[[4-(trifluoromethyl)pyridine-3-carbonyl]amino]acetic acid?
The canonical SMILES for 2-[[4-(trifluoromethyl)pyridine-3-carbonyl]amino]acetic acid is O=C(O)CNC(=O)c1cnccc1C(F)(F)F.
What is the InChIKey of 2-[[4-(trifluoromethyl)pyridine-3-carbonyl]amino]acetic acid?
The InChIKey is AXMBYGGSBXWTEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F3N2O3/c10-9(11,12)6-1-2-13-3-5(6)8(17)14-4-7(15)16/h1-3H,4H2,(H,14,17)(H,15,16).
What are the key properties of 2-[[4-(trifluoromethyl)pyridine-3-carbonyl]amino]acetic acid?
2-[[4-(trifluoromethyl)pyridine-3-carbonyl]amino]acetic acid has a molecular weight of 248.16 g/mol, XLogP of 0.91, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(trifluoromethyl)pyridine-3-carbonyl]amino]acetic acid is sourced from PubChem (CID 46835486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).