6-[(2,2,2-trifluoroacetyl)amino]pyridine-2-carboxylic acid

C8H5F3N2O3 — CID 63644130

IUPAC6-[(2,2,2-trifluoroacetyl)amino]pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(NC(=O)C(F)(F)F)n1
InChIInChI=1S/C8H5F3N2O3/c9-8(10,11)7(16)13-5-3-1-2-4(12-5)6(14)15/h1-3H,(H,14,15)(H,12,13,16)
InChIKeyVMUHLQSWTWKYHR-UHFFFAOYSA-N
MW234.13 g/mol
LogP1.28
Rot. Bonds2

About 6-[(2,2,2-trifluoroacetyl)amino]pyridine-2-carboxylic acid

6-[(2,2,2-trifluoroacetyl)amino]pyridine-2-carboxylic acid (PubChem CID 63644130) has the molecular formula C8H5F3N2O3 and a molecular weight of 234.13 g/mol. Its IUPAC name is 6-[(2,2,2-trifluoroacetyl)amino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[(2,2,2-trifluoroacetyl)amino]pyridine-2-carboxylic acid
PubChem CID63644130
Molecular FormulaC8H5F3N2O3
Molecular Weight234.13 g/mol
Exact Mass234.03
IUPAC Name6-[(2,2,2-trifluoroacetyl)amino]pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(NC(=O)C(F)(F)F)n1
InChIInChI=1S/C8H5F3N2O3/c9-8(10,11)7(16)13-5-3-1-2-4(12-5)6(14)15/h1-3H,(H,14,15)(H,12,13,16)
InChIKeyVMUHLQSWTWKYHR-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

6-[(4-fluorobenzoyl)amino]pyridine-2-carboxylic acid
CID 63643772
6-(2,2,2-trifluoroacetyl)pyridine-2-carboxylic acid
CID 131581629
6-(3-methylbut-2-enoylamino)pyridine-2-carboxylic acid
CID 63642903
2,2,2-trifluoro-N-[6-(2-trimethylsilylethynyl)-2-pyridinyl]acetamide
CID 59829966
6-[(2-fluorophenyl)carbamoylamino]pyridine-2-carboxylic acid
CID 63643427
6-[(6-fluoropyridine-3-carbonyl)amino]pyridine-2-carboxylic acid
CID 114036709
6-(5,5,5-trifluoropentylamino)pyridine-2-carboxylic acid
CID 115520118
6-[(3-hydroxybenzoyl)amino]pyridine-2-carboxylic acid
CID 55249899
6-(cyclopent-3-ene-1-carbonylamino)pyridine-2-carboxylic acid
CID 64767181
6-[(3-hydroxy-2-methylbenzoyl)amino]pyridine-2-carboxylic acid
CID 82827110
CID 91986542
CID 91986542
6-(1H-indazole-3-carbonylamino)pyridine-2-carboxylic acid
CID 63643067

Frequently Asked Questions

What is the IUPAC name of 6-[(2,2,2-trifluoroacetyl)amino]pyridine-2-carboxylic acid?
The IUPAC name of 6-[(2,2,2-trifluoroacetyl)amino]pyridine-2-carboxylic acid (CID 63644130) is 6-[(2,2,2-trifluoroacetyl)amino]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[(2,2,2-trifluoroacetyl)amino]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[(2,2,2-trifluoroacetyl)amino]pyridine-2-carboxylic acid is O=C(O)c1cccc(NC(=O)C(F)(F)F)n1.
What is the InChIKey of 6-[(2,2,2-trifluoroacetyl)amino]pyridine-2-carboxylic acid?
The InChIKey is VMUHLQSWTWKYHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F3N2O3/c9-8(10,11)7(16)13-5-3-1-2-4(12-5)6(14)15/h1-3H,(H,14,15)(H,12,13,16).
What are the key properties of 6-[(2,2,2-trifluoroacetyl)amino]pyridine-2-carboxylic acid?
6-[(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 6-[(2,2,2-trifluoroacetyl)amino]pyridine-2-carboxylic acid is sourced from PubChem (CID 63644130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).