4-[[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]amino]pyridine-2-carboxylic acid

C10H6F6N2O3 — CID 103309187

IUPAC4-[[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]amino]pyridine-2-carboxylic acid
SMILESO=C(O)c1cc(NC(=O)C(C(F)(F)F)C(F)(F)F)ccn1
InChIInChI=1S/C10H6F6N2O3/c11-9(12,13)6(10(14,15)16)7(19)18-4-1-2-17-5(3-4)8(20)21/h1-3,6H,(H,20,21)(H,17,18,19)
InChIKeyQLQIUTJSAMDAHP-UHFFFAOYSA-N
MW316.16 g/mol
LogP2.46
Rot. Bonds3

About 4-[[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]amino]pyridine-2-carboxylic acid

4-[[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]amino]pyridine-2-carboxylic acid (PubChem CID 103309187) has the molecular formula C10H6F6N2O3 and a molecular weight of 316.16 g/mol. Its IUPAC name is 4-[[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]amino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-[[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]amino]pyridine-2-carboxylic acid
PubChem CID103309187
Molecular FormulaC10H6F6N2O3
Molecular Weight316.16 g/mol
Exact Mass316.03
IUPAC Name4-[[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]amino]pyridine-2-carboxylic acid
SMILESO=C(O)c1cc(NC(=O)C(C(F)(F)F)C(F)(F)F)ccn1
InChIInChI=1S/C10H6F6N2O3/c11-9(12,13)6(10(14,15)16)7(19)18-4-1-2-17-5(3-4)8(20)21/h1-3,6H,(H,20,21)(H,17,18,19)
InChIKeyQLQIUTJSAMDAHP-UHFFFAOYSA-N
XLogP2.46
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.16
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2,2,2-trifluoroacetyl)amino]pyridine-2-carboxylic acid
CID 63651413
4-(pyridine-4-carbonylamino)pyridine-2-carboxylic acid
CID 63651530
4-[(2-fluorophenyl)carbamoylamino]pyridine-2-carboxylic acid
CID 63651767
4-[3-(2,2,2-trifluoroethoxy)propanoylamino]pyridine-2-carboxylic acid
CID 63650013
4-(3-phenylpropanoylamino)pyridine-2-carboxylic acid;2,2,2-trifluoroacetic acid
CID 167945350
4-[(3,5-dimethylbenzoyl)amino]pyridine-2-carboxylic acid
CID 63651310
4-[[2-(2-fluorophenyl)sulfanylacetyl]amino]pyridine-2-carboxylic acid
CID 63651197
4-[(2-fluoro-4-hydroxybenzoyl)amino]pyridine-2-carboxylic acid
CID 107674896
4-(2-propan-2-ylsulfonylethylamino)pyridine-2-carboxylic acid
CID 167824866
hydrazine;pyridine-2,4-dicarboxylic acid
CID 71369189
4-[(3-chloro-4-methylphenyl)carbamoylamino]pyridine-2-carboxylic acid
CID 63651885
4-[(4-cyanophenyl)carbamoylamino]pyridine-2-carboxylic acid
CID 63650036

Frequently Asked Questions

What is the IUPAC name of 4-[[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]amino]pyridine-2-carboxylic acid?
The IUPAC name of 4-[[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]amino]pyridine-2-carboxylic acid (CID 103309187) is 4-[[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]amino]pyridine-2-carboxylic acid.
What is the SMILES notation for 4-[[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]amino]pyridine-2-carboxylic acid?
The canonical SMILES for 4-[[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]amino]pyridine-2-carboxylic acid is O=C(O)c1cc(NC(=O)C(C(F)(F)F)C(F)(F)F)ccn1.
What is the InChIKey of 4-[[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]amino]pyridine-2-carboxylic acid?
The InChIKey is QLQIUTJSAMDAHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F6N2O3/c11-9(12,13)6(10(14,15)16)7(19)18-4-1-2-17-5(3-4)8(20)21/h1-3,6H,(H,20,21)(H,17,18,19).
What are the key properties of 4-[[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]amino]pyridine-2-carboxylic acid?
4-[[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]amino]pyridine-2-carboxylic acid has a molecular weight of 316.16 g/mol, XLogP of 2.46, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]amino]pyridine-2-carboxylic acid is sourced from PubChem (CID 103309187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).