4-[(2,2,2-trifluoroacetyl)amino]pyridine-2-carboxylic acid

C8H5F3N2O3 — CID 63651413

IUPAC4-[(2,2,2-trifluoroacetyl)amino]pyridine-2-carboxylic acid
SMILESO=C(O)c1cc(NC(=O)C(F)(F)F)ccn1
InChIInChI=1S/C8H5F3N2O3/c9-8(10,11)7(16)13-4-1-2-12-5(3-4)6(14)15/h1-3H,(H,14,15)(H,12,13,16)
InChIKeyFZHHSPWKGHKERO-UHFFFAOYSA-N
MW234.13 g/mol
LogP1.28
Rot. Bonds2

About 4-[(2,2,2-trifluoroacetyl)amino]pyridine-2-carboxylic acid

4-[(2,2,2-trifluoroacetyl)amino]pyridine-2-carboxylic acid (PubChem CID 63651413) has the molecular formula C8H5F3N2O3 and a molecular weight of 234.13 g/mol. Its IUPAC name is 4-[(2,2,2-trifluoroacetyl)amino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-[(2,2,2-trifluoroacetyl)amino]pyridine-2-carboxylic acid
PubChem CID63651413
Molecular FormulaC8H5F3N2O3
Molecular Weight234.13 g/mol
Exact Mass234.03
IUPAC Name4-[(2,2,2-trifluoroacetyl)amino]pyridine-2-carboxylic acid
SMILESO=C(O)c1cc(NC(=O)C(F)(F)F)ccn1
InChIInChI=1S/C8H5F3N2O3/c9-8(10,11)7(16)13-4-1-2-12-5(3-4)6(14)15/h1-3H,(H,14,15)(H,12,13,16)
InChIKeyFZHHSPWKGHKERO-UHFFFAOYSA-N
XLogP1.28
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.13
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]amino]pyridine-2-carboxylic acid
CID 103309187
2,2,2-trifluoro-N-pyridin-4-ylacetamide
CID 4095205
4-(3-phenylpropanoylamino)pyridine-2-carboxylic acid;2,2,2-trifluoroacetic acid
CID 167945350
4-(pyridine-4-carbonylamino)pyridine-2-carboxylic acid
CID 63651530
4-[3-(2,2,2-trifluoroethoxy)propanoylamino]pyridine-2-carboxylic acid
CID 63650013
4-[(2-fluorophenyl)carbamoylamino]pyridine-2-carboxylic acid
CID 63651767
4-[(3,5-dimethylbenzoyl)amino]pyridine-2-carboxylic acid
CID 63651310
2,2,2-trifluoro-N-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]acetamide
CID 5013683
4-[(2-fluoro-4-hydroxybenzoyl)amino]pyridine-2-carboxylic acid
CID 107674896
4-[(3-chloro-4-methylphenyl)carbamoylamino]pyridine-2-carboxylic acid
CID 63651885
4-[(4-cyanophenyl)carbamoylamino]pyridine-2-carboxylic acid
CID 63650036
4-[(1-phenylcyclopropanecarbonyl)amino]pyridine-2-carboxylic acid
CID 63650023

Frequently Asked Questions

What is the IUPAC name of 4-[(2,2,2-trifluoroacetyl)amino]pyridine-2-carboxylic acid?
The IUPAC name of 4-[(2,2,2-trifluoroacetyl)amino]pyridine-2-carboxylic acid (CID 63651413) is 4-[(2,2,2-trifluoroacetyl)amino]pyridine-2-carboxylic acid.
What is the SMILES notation for 4-[(2,2,2-trifluoroacetyl)amino]pyridine-2-carboxylic acid?
The canonical SMILES for 4-[(2,2,2-trifluoroacetyl)amino]pyridine-2-carboxylic acid is O=C(O)c1cc(NC(=O)C(F)(F)F)ccn1.
What is the InChIKey of 4-[(2,2,2-trifluoroacetyl)amino]pyridine-2-carboxylic acid?
The InChIKey is FZHHSPWKGHKERO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F3N2O3/c9-8(10,11)7(16)13-4-1-2-12-5(3-4)6(14)15/h1-3H,(H,14,15)(H,12,13,16).
What are the key properties of 4-[(2,2,2-trifluoroacetyl)amino]pyridine-2-carboxylic acid?
4-[(2,2,2-trifluoroacetyl)amino]pyridine-2-carboxylic acid has a molecular weight of 234.13 g/mol, XLogP of 1.28, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,2,2-trifluoroacetyl)amino]pyridine-2-carboxylic acid is sourced from PubChem (CID 63651413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).