2-(2,2,2-trifluoroethylamino)pyridine-4-carboxylic acid

C8H7F3N2O2 — CID 12889446

IUPAC2-(2,2,2-trifluoroethylamino)pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(NCC(F)(F)F)c1
InChIInChI=1S/C8H7F3N2O2/c9-8(10,11)4-13-6-3-5(7(14)15)1-2-12-6/h1-3H,4H2,(H,12,13)(H,14,15)
InChIKeyCJINBGGVTQYDFK-UHFFFAOYSA-N
MW220.15 g/mol
LogP1.75
Rot. Bonds3

About 2-(2,2,2-trifluoroethylamino)pyridine-4-carboxylic acid

2-(2,2,2-trifluoroethylamino)pyridine-4-carboxylic acid (PubChem CID 12889446) has the molecular formula C8H7F3N2O2 and a molecular weight of 220.15 g/mol. Its IUPAC name is 2-(2,2,2-trifluoroethylamino)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-(2,2,2-trifluoroethylamino)pyridine-4-carboxylic acid
PubChem CID12889446
Molecular FormulaC8H7F3N2O2
Molecular Weight220.15 g/mol
Exact Mass220.05
IUPAC Name2-(2,2,2-trifluoroethylamino)pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(NCC(F)(F)F)c1
InChIInChI=1S/C8H7F3N2O2/c9-8(10,11)4-13-6-3-5(7(14)15)1-2-12-6/h1-3H,4H2,(H,12,13)(H,14,15)
InChIKeyCJINBGGVTQYDFK-UHFFFAOYSA-N
XLogP1.75
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.15
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

CID 4488
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CID 18496
CID 18496
CID 236984
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CID 28400003
CID 28400003
CID 28400038
CID 28400038
CID 278396
CID 278396
CID 214596
CID 214596
CID 7015521
CID 7015521
CID 419744
CID 419744
CID 22271415
CID 22271415
CID 2762479
CID 2762479
CID 1447952
CID 1447952

Frequently Asked Questions

What is the IUPAC name of 2-(2,2,2-trifluoroethylamino)pyridine-4-carboxylic acid?
The IUPAC name of 2-(2,2,2-trifluoroethylamino)pyridine-4-carboxylic acid (CID 12889446) is 2-(2,2,2-trifluoroethylamino)pyridine-4-carboxylic acid.
What is the SMILES notation for 2-(2,2,2-trifluoroethylamino)pyridine-4-carboxylic acid?
The canonical SMILES for 2-(2,2,2-trifluoroethylamino)pyridine-4-carboxylic acid is O=C(O)c1ccnc(NCC(F)(F)F)c1.
What is the InChIKey of 2-(2,2,2-trifluoroethylamino)pyridine-4-carboxylic acid?
The InChIKey is CJINBGGVTQYDFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3N2O2/c9-8(10,11)4-13-6-3-5(7(14)15)1-2-12-6/h1-3H,4H2,(H,12,13)(H,14,15).
What are the key properties of 2-(2,2,2-trifluoroethylamino)pyridine-4-carboxylic acid?
2-(2,2,2-trifluoroethylamino)pyridine-4-carboxylic acid has a molecular weight of 220.15 g/mol, XLogP of 1.75, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,2-trifluoroethylamino)pyridine-4-carboxylic acid is sourced from PubChem (CID 12889446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).