2-(2,4,5-trifluoroanilino)pyridine-4-carboxylic acid

C12H7F3N2O2 — CID 62815223

IUPAC2-(2,4,5-trifluoroanilino)pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(Nc2cc(F)c(F)cc2F)c1
InChIInChI=1S/C12H7F3N2O2/c13-7-4-9(15)10(5-8(7)14)17-11-3-6(12(18)19)1-2-16-11/h1-5H,(H,16,17)(H,18,19)
InChIKeyUBEKBPGSXCDHMA-UHFFFAOYSA-N
MW268.19 g/mol
LogP2.94
Rot. Bonds3

About 2-(2,4,5-trifluoroanilino)pyridine-4-carboxylic acid

2-(2,4,5-trifluoroanilino)pyridine-4-carboxylic acid (PubChem CID 62815223) has the molecular formula C12H7F3N2O2 and a molecular weight of 268.19 g/mol. Its IUPAC name is 2-(2,4,5-trifluoroanilino)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-(2,4,5-trifluoroanilino)pyridine-4-carboxylic acid
PubChem CID62815223
Molecular FormulaC12H7F3N2O2
Molecular Weight268.19 g/mol
Exact Mass268.05
IUPAC Name2-(2,4,5-trifluoroanilino)pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(Nc2cc(F)c(F)cc2F)c1
InChIInChI=1S/C12H7F3N2O2/c13-7-4-9(15)10(5-8(7)14)17-11-3-6(12(18)19)1-2-16-11/h1-5H,(H,16,17)(H,18,19)
InChIKeyUBEKBPGSXCDHMA-UHFFFAOYSA-N
XLogP2.94
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.19
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

2-(2-chloro-5-fluoroanilino)pyridine-4-carboxylic acid
CID 107528839
2-(4-fluoro-2-iodoanilino)pyridine-4-carboxylic acid
CID 79766331
2-[4-chloro-2-(trifluoromethyl)anilino]pyridine-4-carboxylic acid
CID 28537506
2-hydrazinylpyridine-4-carboxylic acid
CID 26967246
5-chloro-2-(2,4,5-trifluoroanilino)pyridine-4-carboxylic acid
CID 114919577
2-(2-fluoro-4-iodoanilino)pyridine-4-carboxamide
CID 174673657
2-(3,4-dichloroanilino)pyridine-4-carboxylic acid
CID 13082139
2-(naphthalen-2-ylamino)pyridine-4-carboxylic acid
CID 60726061
2-(4-bromo-2,6-dimethylanilino)pyridine-4-carboxylic acid
CID 65498815
2-[4-bromo-3-(trifluoromethyl)anilino]pyridine-4-carboxylic acid
CID 64855140
2-(2-hydroxyethylamino)pyridine-4-carboxylic acid
CID 53408816
2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]pyridine-4-carboxylic acid
CID 107853535

Frequently Asked Questions

What is the IUPAC name of 2-(2,4,5-trifluoroanilino)pyridine-4-carboxylic acid?
The IUPAC name of 2-(2,4,5-trifluoroanilino)pyridine-4-carboxylic acid (CID 62815223) is 2-(2,4,5-trifluoroanilino)pyridine-4-carboxylic acid.
What is the SMILES notation for 2-(2,4,5-trifluoroanilino)pyridine-4-carboxylic acid?
The canonical SMILES for 2-(2,4,5-trifluoroanilino)pyridine-4-carboxylic acid is O=C(O)c1ccnc(Nc2cc(F)c(F)cc2F)c1.
What is the InChIKey of 2-(2,4,5-trifluoroanilino)pyridine-4-carboxylic acid?
The InChIKey is UBEKBPGSXCDHMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7F3N2O2/c13-7-4-9(15)10(5-8(7)14)17-11-3-6(12(18)19)1-2-16-11/h1-5H,(H,16,17)(H,18,19).
What are the key properties of 2-(2,4,5-trifluoroanilino)pyridine-4-carboxylic acid?
2-(2,4,5-trifluoroanilino)pyridine-4-carboxylic acid has a molecular weight of 268.19 g/mol, XLogP of 2.94, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4,5-trifluoroanilino)pyridine-4-carboxylic acid is sourced from PubChem (CID 62815223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).