2-oxo-6-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]-1H-pyridine-3-carboxylic acid

C14H9F3N2O4 — CID 12837842

IUPAC2-oxo-6-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]-1H-pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(-c2ccc(NC(=O)C(F)(F)F)cc2)[nH]c1=O
InChIInChI=1S/C14H9F3N2O4/c15-14(16,17)13(23)18-8-3-1-7(2-4-8)10-6-5-9(12(21)22)11(20)19-10/h1-6H,(H,18,23)(H,19,20)(H,21,22)
InChIKeyAWLUFMOCNFHIAW-UHFFFAOYSA-N
MW326.23 g/mol
LogP2.24
Rot. Bonds3

About 2-oxo-6-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]-1H-pyridine-3-carboxylic acid

2-oxo-6-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]-1H-pyridine-3-carboxylic acid (PubChem CID 12837842) has the molecular formula C14H9F3N2O4 and a molecular weight of 326.23 g/mol. Its IUPAC name is 2-oxo-6-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]-1H-pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-oxo-6-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]-1H-pyridine-3-carboxylic acid
PubChem CID12837842
Molecular FormulaC14H9F3N2O4
Molecular Weight326.23 g/mol
Exact Mass326.05
IUPAC Name2-oxo-6-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]-1H-pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(-c2ccc(NC(=O)C(F)(F)F)cc2)[nH]c1=O
InChIInChI=1S/C14H9F3N2O4/c15-14(16,17)13(23)18-8-3-1-7(2-4-8)10-6-5-9(12(21)22)11(20)19-10/h1-6H,(H,18,23)(H,19,20)(H,21,22)
InChIKeyAWLUFMOCNFHIAW-UHFFFAOYSA-N
XLogP2.24
TPSA99.26 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.23
LogP ≤ 52.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 676337
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CID 71281676
CID 71281676
CID 707107
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CID 709318
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CID 1551725
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CID 5356452
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CID 699574
CID 699574

Frequently Asked Questions

What is the IUPAC name of 2-oxo-6-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]-1H-pyridine-3-carboxylic acid?
The IUPAC name of 2-oxo-6-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]-1H-pyridine-3-carboxylic acid (CID 12837842) is 2-oxo-6-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]-1H-pyridine-3-carboxylic acid.
What is the SMILES notation for 2-oxo-6-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]-1H-pyridine-3-carboxylic acid?
The canonical SMILES for 2-oxo-6-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]-1H-pyridine-3-carboxylic acid is O=C(O)c1ccc(-c2ccc(NC(=O)C(F)(F)F)cc2)[nH]c1=O.
What is the InChIKey of 2-oxo-6-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]-1H-pyridine-3-carboxylic acid?
The InChIKey is AWLUFMOCNFHIAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F3N2O4/c15-14(16,17)13(23)18-8-3-1-7(2-4-8)10-6-5-9(12(21)22)11(20)19-10/h1-6H,(H,18,23)(H,19,20)(H,21,22).
What are the key properties of 2-oxo-6-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]-1H-pyridine-3-carboxylic acid?
2-oxo-6-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]-1H-pyridine-3-carboxylic acid has a molecular weight of 326.23 g/mol, XLogP of 2.24, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-6-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]-1H-pyridine-3-carboxylic acid is sourced from PubChem (CID 12837842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).