4-[[2-(2,2,2-trifluoroethylamino)phenyl]carbamoyl]pyridine-2-carboxylic acid

C15H12F3N3O3 — CID 167914964

IUPAC4-[[2-(2,2,2-trifluoroethylamino)phenyl]carbamoyl]pyridine-2-carboxylic acid
SMILESO=C(Nc1ccccc1NCC(F)(F)F)c1ccnc(C(=O)O)c1
InChIInChI=1S/C15H12F3N3O3/c16-15(17,18)8-20-10-3-1-2-4-11(10)21-13(22)9-5-6-19-12(7-9)14(23)24/h1-7,20H,8H2,(H,21,22)(H,23,24)
InChIKeyYMKTUOZHOKXWOA-UHFFFAOYSA-N
MW339.27 g/mol
LogP3.01
Rot. Bonds5

About 4-[[2-(2,2,2-trifluoroethylamino)phenyl]carbamoyl]pyridine-2-carboxylic acid

4-[[2-(2,2,2-trifluoroethylamino)phenyl]carbamoyl]pyridine-2-carboxylic acid (PubChem CID 167914964) has the molecular formula C15H12F3N3O3 and a molecular weight of 339.27 g/mol. Its IUPAC name is 4-[[2-(2,2,2-trifluoroethylamino)phenyl]carbamoyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-[[2-(2,2,2-trifluoroethylamino)phenyl]carbamoyl]pyridine-2-carboxylic acid
PubChem CID167914964
Molecular FormulaC15H12F3N3O3
Molecular Weight339.27 g/mol
Exact Mass339.08
IUPAC Name4-[[2-(2,2,2-trifluoroethylamino)phenyl]carbamoyl]pyridine-2-carboxylic acid
SMILESO=C(Nc1ccccc1NCC(F)(F)F)c1ccnc(C(=O)O)c1
InChIInChI=1S/C15H12F3N3O3/c16-15(17,18)8-20-10-3-1-2-4-11(10)21-13(22)9-5-6-19-12(7-9)14(23)24/h1-7,20H,8H2,(H,21,22)(H,23,24)
InChIKeyYMKTUOZHOKXWOA-UHFFFAOYSA-N
XLogP3.01
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.27
LogP ≤ 53.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2-methoxyphenyl)carbamoyl]pyridine-2-carboxylic acid
CID 115730044
5-methyl-N-[2-(2,2,2-trifluoroethylamino)phenyl]pyrazine-2-carboxamide
CID 47829593
4-[(5-bromo-2-cyanophenyl)carbamoyl]pyridine-2-carboxylic acid
CID 107800302
3-(methanesulfonamido)-N-[2-(2,2,2-trifluoroethylamino)phenyl]benzamide
CID 47829726
2-N,4-N-bis(2-ethylphenyl)pyridine-2,4-dicarboxamide
CID 109092181
2-N-tert-butyl-4-N-(2-ethylphenyl)pyridine-2,4-dicarboxamide
CID 109089264
4-(difluoromethylsulfanyl)-N-[2-(2,2,2-trifluoroethylamino)phenyl]benzamide
CID 47829508
4-(3,5-dimethylpyrazol-1-yl)-N-[2-(2,2,2-trifluoroethylamino)phenyl]benzamide
CID 47829643
4-[(1-tert-butylbenzimidazol-2-yl)carbamoyl]pyridine-2-carboxylic acid
CID 155950252
4-N-(2-methylphenyl)-2-N-[2-(trifluoromethyl)phenyl]pyridine-2,4-dicarboxamide
CID 109091026
4-[[3-(benzylsulfinylmethyl)phenyl]carbamoyl]pyridine-2-carboxylic acid
CID 122146145
4-[(2-chloro-4-iodophenyl)carbamoyl]pyridine-2-carboxylic acid
CID 107605941

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(2,2,2-trifluoroethylamino)phenyl]carbamoyl]pyridine-2-carboxylic acid?
The IUPAC name of 4-[[2-(2,2,2-trifluoroethylamino)phenyl]carbamoyl]pyridine-2-carboxylic acid (CID 167914964) is 4-[[2-(2,2,2-trifluoroethylamino)phenyl]carbamoyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 4-[[2-(2,2,2-trifluoroethylamino)phenyl]carbamoyl]pyridine-2-carboxylic acid?
The canonical SMILES for 4-[[2-(2,2,2-trifluoroethylamino)phenyl]carbamoyl]pyridine-2-carboxylic acid is O=C(Nc1ccccc1NCC(F)(F)F)c1ccnc(C(=O)O)c1.
What is the InChIKey of 4-[[2-(2,2,2-trifluoroethylamino)phenyl]carbamoyl]pyridine-2-carboxylic acid?
The InChIKey is YMKTUOZHOKXWOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3N3O3/c16-15(17,18)8-20-10-3-1-2-4-11(10)21-13(22)9-5-6-19-12(7-9)14(23)24/h1-7,20H,8H2,(H,21,22)(H,23,24).
What are the key properties of 4-[[2-(2,2,2-trifluoroethylamino)phenyl]carbamoyl]pyridine-2-carboxylic acid?
4-[[2-(2,2,2-trifluoroethylamino)phenyl]carbamoyl]pyridine-2-carboxylic acid has a molecular weight of 339.27 g/mol, XLogP of 3.01, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(2,2,2-trifluoroethylamino)phenyl]carbamoyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 167914964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).