2-(2,3,5,6-tetrafluoroanilino)pyridine-3-carboxylic acid

C12H6F4N2O2 — CID 107645096

IUPAC2-(2,3,5,6-tetrafluoroanilino)pyridine-3-carboxylic acid
SMILESO=C(O)c1cccnc1Nc1c(F)c(F)cc(F)c1F
InChIInChI=1S/C12H6F4N2O2/c13-6-4-7(14)9(16)10(8(6)15)18-11-5(12(19)20)2-1-3-17-11/h1-4H,(H,17,18)(H,19,20)
InChIKeyZVJBYLHKNHKRET-UHFFFAOYSA-N
MW286.18 g/mol
LogP3.08
Rot. Bonds3

About 2-(2,3,5,6-tetrafluoroanilino)pyridine-3-carboxylic acid

2-(2,3,5,6-tetrafluoroanilino)pyridine-3-carboxylic acid (PubChem CID 107645096) has the molecular formula C12H6F4N2O2 and a molecular weight of 286.18 g/mol. Its IUPAC name is 2-(2,3,5,6-tetrafluoroanilino)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(2,3,5,6-tetrafluoroanilino)pyridine-3-carboxylic acid
PubChem CID107645096
Molecular FormulaC12H6F4N2O2
Molecular Weight286.18 g/mol
Exact Mass286.04
IUPAC Name2-(2,3,5,6-tetrafluoroanilino)pyridine-3-carboxylic acid
SMILESO=C(O)c1cccnc1Nc1c(F)c(F)cc(F)c1F
InChIInChI=1S/C12H6F4N2O2/c13-6-4-7(14)9(16)10(8(6)15)18-11-5(12(19)20)2-1-3-17-11/h1-4H,(H,17,18)(H,19,20)
InChIKeyZVJBYLHKNHKRET-UHFFFAOYSA-N
XLogP3.08
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.18
LogP ≤ 53.08
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

6-chloro-2-(2,3,5,6-tetrafluoroanilino)pyridine-3-carboxylic acid
CID 107645109
2-(4-fluoro-3-methylanilino)pyridine-3-carboxylic acid
CID 62812366
2-(4-bromo-2,6-dimethylanilino)pyridine-3-carboxylic acid
CID 65499396
2-[(2-fluoro-4-hydroxybenzoyl)amino]pyridine-3-carboxylic acid
CID 107674901
2-[4-(3-ethoxyphenyl)-2,6-difluoroanilino]pyridine-3-carboxylic acid
CID 24986825
2-(2,6-dichloro-4-pyridin-4-ylanilino)pyridine-3-carboxylic acid
CID 153457704
2-[[2-(trifluoromethyl)-4-pyridinyl]amino]pyridine-3-carboxylic acid
CID 11716131
2-[4-[3-(cyclopropylmethyl)phenyl]-2,6-difluoroanilino]pyridine-3-carboxylic acid
CID 71081732
2-(5-fluoro-2-methoxyanilino)pyridine-3-carboxylic acid
CID 178064933
2-[(2,4-dichloro-5-fluorobenzoyl)amino]pyridine-3-carboxylic acid
CID 63653408
2-[(4-bromo-3-fluorobenzoyl)amino]pyridine-3-carboxylic acid
CID 63653566
2-[(3-fluoro-4-methylbenzoyl)amino]pyridine-3-carboxylic acid
CID 63653746

Frequently Asked Questions

What is the IUPAC name of 2-(2,3,5,6-tetrafluoroanilino)pyridine-3-carboxylic acid?
The IUPAC name of 2-(2,3,5,6-tetrafluoroanilino)pyridine-3-carboxylic acid (CID 107645096) is 2-(2,3,5,6-tetrafluoroanilino)pyridine-3-carboxylic acid.
What is the SMILES notation for 2-(2,3,5,6-tetrafluoroanilino)pyridine-3-carboxylic acid?
The canonical SMILES for 2-(2,3,5,6-tetrafluoroanilino)pyridine-3-carboxylic acid is O=C(O)c1cccnc1Nc1c(F)c(F)cc(F)c1F.
What is the InChIKey of 2-(2,3,5,6-tetrafluoroanilino)pyridine-3-carboxylic acid?
The InChIKey is ZVJBYLHKNHKRET-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6F4N2O2/c13-6-4-7(14)9(16)10(8(6)15)18-11-5(12(19)20)2-1-3-17-11/h1-4H,(H,17,18)(H,19,20).
What are the key properties of 2-(2,3,5,6-tetrafluoroanilino)pyridine-3-carboxylic acid?
2-(2,3,5,6-tetrafluoroanilino)pyridine-3-carboxylic acid has a molecular weight of 286.18 g/mol, XLogP of 3.08, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3,5,6-tetrafluoroanilino)pyridine-3-carboxylic acid is sourced from PubChem (CID 107645096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).