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

C12H5ClF4N2O2 — CID 107645085

IUPAC3-chloro-6-(2,3,5,6-tetrafluoroanilino)pyridine-2-carboxylic acid
SMILESO=C(O)c1nc(Nc2c(F)c(F)cc(F)c2F)ccc1Cl
InChIInChI=1S/C12H5ClF4N2O2/c13-4-1-2-7(18-10(4)12(20)21)19-11-8(16)5(14)3-6(15)9(11)17/h1-3H,(H,18,19)(H,20,21)
InChIKeyWLGMQHYHLNVOJW-UHFFFAOYSA-N
MW320.63 g/mol
LogP3.73
Rot. Bonds3

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

3-chloro-6-(2,3,5,6-tetrafluoroanilino)pyridine-2-carboxylic acid (PubChem CID 107645085) has the molecular formula C12H5ClF4N2O2 and a molecular weight of 320.63 g/mol. Its IUPAC name is 3-chloro-6-(2,3,5,6-tetrafluoroanilino)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-chloro-6-(2,3,5,6-tetrafluoroanilino)pyridine-2-carboxylic acid
PubChem CID107645085
Molecular FormulaC12H5ClF4N2O2
Molecular Weight320.63 g/mol
Exact Mass320.00
IUPAC Name3-chloro-6-(2,3,5,6-tetrafluoroanilino)pyridine-2-carboxylic acid
SMILESO=C(O)c1nc(Nc2c(F)c(F)cc(F)c2F)ccc1Cl
InChIInChI=1S/C12H5ClF4N2O2/c13-4-1-2-7(18-10(4)12(20)21)19-11-8(16)5(14)3-6(15)9(11)17/h1-3H,(H,18,19)(H,20,21)
InChIKeyWLGMQHYHLNVOJW-UHFFFAOYSA-N
XLogP3.73
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.63
LogP ≤ 53.73
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

3-chloro-6-(2,6-dichloroanilino)pyridine-2-carboxylic acid
CID 65499398
3-chloro-6-(2-chloro-5-fluoroanilino)pyridine-2-carboxylic acid
CID 107528825
6-(3-bromo-4-fluoroanilino)-3-chloropyridine-2-carboxylic acid
CID 104779776
2-chloro-6-(2,3,5,6-tetrafluoroanilino)pyridine-4-carboxylic acid
CID 107645086
6-chloro-2-(2,3,5,6-tetrafluoroanilino)pyridine-3-carboxylic acid
CID 107645109
6-(2-bromo-4-fluoroanilino)-3-chloropyridine-2-carboxylic acid
CID 28939546
3-chloro-6-(3-fluoro-4-methoxyanilino)pyridine-2-carboxylic acid
CID 43381012
3-chloro-6-(4-iodoanilino)pyridine-2-carboxylic acid
CID 28976726
6-(4-bromo-3,5-dimethylanilino)-3-chloropyridine-2-carboxylic acid
CID 107575433
6-(2-aminoethylamino)-3-chloropyridine-2-carboxylic acid
CID 61402986
6-(2-bromo-4-methylanilino)-3-chloropyridine-2-carboxylic acid
CID 29032205
6-(3-bromo-4-iodoanilino)-3-chloropyridine-2-carboxylic acid
CID 114262232

Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-(2,3,5,6-tetrafluoroanilino)pyridine-2-carboxylic acid?
The IUPAC name of 3-chloro-6-(2,3,5,6-tetrafluoroanilino)pyridine-2-carboxylic acid (CID 107645085) is 3-chloro-6-(2,3,5,6-tetrafluoroanilino)pyridine-2-carboxylic acid.
What is the SMILES notation for 3-chloro-6-(2,3,5,6-tetrafluoroanilino)pyridine-2-carboxylic acid?
The canonical SMILES for 3-chloro-6-(2,3,5,6-tetrafluoroanilino)pyridine-2-carboxylic acid is O=C(O)c1nc(Nc2c(F)c(F)cc(F)c2F)ccc1Cl.
What is the InChIKey of 3-chloro-6-(2,3,5,6-tetrafluoroanilino)pyridine-2-carboxylic acid?
The InChIKey is WLGMQHYHLNVOJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H5ClF4N2O2/c13-4-1-2-7(18-10(4)12(20)21)19-11-8(16)5(14)3-6(15)9(11)17/h1-3H,(H,18,19)(H,20,21).
What are the key properties of 3-chloro-6-(2,3,5,6-tetrafluoroanilino)pyridine-2-carboxylic acid?
3-chloro-6-(2,3,5,6-tetrafluoroanilino)pyridine-2-carboxylic acid has a molecular weight of 320.63 g/mol, XLogP of 3.73, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-(2,3,5,6-tetrafluoroanilino)pyridine-2-carboxylic acid is sourced from PubChem (CID 107645085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).