4-(2,4,5-trifluoroanilino)pyridine-3-carboxylic acid

C12H7F3N2O2 — CID 81243645

IUPAC4-(2,4,5-trifluoroanilino)pyridine-3-carboxylic acid
SMILESO=C(O)c1cnccc1Nc1cc(F)c(F)cc1F
InChIInChI=1S/C12H7F3N2O2/c13-7-3-9(15)11(4-8(7)14)17-10-1-2-16-5-6(10)12(18)19/h1-5H,(H,16,17)(H,18,19)
InChIKeyDSEXZSRCWJEWSL-UHFFFAOYSA-N
MW268.19 g/mol
LogP2.94
Rot. Bonds3

About 4-(2,4,5-trifluoroanilino)pyridine-3-carboxylic acid

4-(2,4,5-trifluoroanilino)pyridine-3-carboxylic acid (PubChem CID 81243645) has the molecular formula C12H7F3N2O2 and a molecular weight of 268.19 g/mol. Its IUPAC name is 4-(2,4,5-trifluoroanilino)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-(2,4,5-trifluoroanilino)pyridine-3-carboxylic acid
PubChem CID81243645
Molecular FormulaC12H7F3N2O2
Molecular Weight268.19 g/mol
Exact Mass268.05
IUPAC Name4-(2,4,5-trifluoroanilino)pyridine-3-carboxylic acid
SMILESO=C(O)c1cnccc1Nc1cc(F)c(F)cc1F
InChIInChI=1S/C12H7F3N2O2/c13-7-3-9(15)11(4-8(7)14)17-10-1-2-16-5-6(10)12(18)19/h1-5H,(H,16,17)(H,18,19)
InChIKeyDSEXZSRCWJEWSL-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

4-(2-fluoro-5-methylanilino)pyridine-3-carboxylic acid
CID 81233139
4-(5-bromo-4-fluoro-2-methylanilino)pyridine-3-carboxylic acid
CID 107592865
4-(2,6-dichloro-4-fluoroanilino)pyridine-3-carboxylic acid
CID 83079420
4-fluoropyridine-3-carboxylic acid
CID 2762936
4-(5-chloro-2-methoxyanilino)pyridine-3-carboxylic acid
CID 81232706
4-(4-tert-butylanilino)pyridine-3-carboxylic acid
CID 81232443
4-(3,4-dimethylanilino)pyridine-3-carboxylic acid
CID 81233469
4-(3-hydroxyanilino)pyridine-3-carboxylic acid
CID 115037604
4-[(2-methyl-3-pyridinyl)amino]pyridine-3-carboxylic acid
CID 81243430
2-[2-(2-carboxyanilino)-4,5-difluoroanilino]benzoic acid
CID 10385313
3-(2,4,5-trifluorophenyl)pyridine-4-carboxylic acid
CID 115503075
4-[(2,4-difluorophenyl)methylamino]pyridine-3-carboxylic acid
CID 81244539

Frequently Asked Questions

What is the IUPAC name of 4-(2,4,5-trifluoroanilino)pyridine-3-carboxylic acid?
The IUPAC name of 4-(2,4,5-trifluoroanilino)pyridine-3-carboxylic acid (CID 81243645) is 4-(2,4,5-trifluoroanilino)pyridine-3-carboxylic acid.
What is the SMILES notation for 4-(2,4,5-trifluoroanilino)pyridine-3-carboxylic acid?
The canonical SMILES for 4-(2,4,5-trifluoroanilino)pyridine-3-carboxylic acid is O=C(O)c1cnccc1Nc1cc(F)c(F)cc1F.
What is the InChIKey of 4-(2,4,5-trifluoroanilino)pyridine-3-carboxylic acid?
The InChIKey is DSEXZSRCWJEWSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7F3N2O2/c13-7-3-9(15)11(4-8(7)14)17-10-1-2-16-5-6(10)12(18)19/h1-5H,(H,16,17)(H,18,19).
What are the key properties of 4-(2,4,5-trifluoroanilino)pyridine-3-carboxylic acid?
4-(2,4,5-trifluoroanilino)pyridine-3-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 4-(2,4,5-trifluoroanilino)pyridine-3-carboxylic acid is sourced from PubChem (CID 81243645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).