2-chloro-6-(2,3,5,6-tetrafluoroanilino)pyridine-4-carboxylic acid

C12H5ClF4N2O2 — CID 107645086

IUPAC2-chloro-6-(2,3,5,6-tetrafluoroanilino)pyridine-4-carboxylic acid
SMILESO=C(O)c1cc(Cl)nc(Nc2c(F)c(F)cc(F)c2F)c1
InChIInChI=1S/C12H5ClF4N2O2/c13-7-1-4(12(20)21)2-8(18-7)19-11-9(16)5(14)3-6(15)10(11)17/h1-3H,(H,18,19)(H,20,21)
InChIKeyWESCWLQHGLZASR-UHFFFAOYSA-N
MW320.63 g/mol
LogP3.73
Rot. Bonds3

About 2-chloro-6-(2,3,5,6-tetrafluoroanilino)pyridine-4-carboxylic acid

2-chloro-6-(2,3,5,6-tetrafluoroanilino)pyridine-4-carboxylic acid (PubChem CID 107645086) has the molecular formula C12H5ClF4N2O2 and a molecular weight of 320.63 g/mol. Its IUPAC name is 2-chloro-6-(2,3,5,6-tetrafluoroanilino)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-chloro-6-(2,3,5,6-tetrafluoroanilino)pyridine-4-carboxylic acid
PubChem CID107645086
Molecular FormulaC12H5ClF4N2O2
Molecular Weight320.63 g/mol
Exact Mass320.00
IUPAC Name2-chloro-6-(2,3,5,6-tetrafluoroanilino)pyridine-4-carboxylic acid
SMILESO=C(O)c1cc(Cl)nc(Nc2c(F)c(F)cc(F)c2F)c1
InChIInChI=1S/C12H5ClF4N2O2/c13-7-1-4(12(20)21)2-8(18-7)19-11-9(16)5(14)3-6(15)10(11)17/h1-3H,(H,18,19)(H,20,21)
InChIKeyWESCWLQHGLZASR-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': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

2-chloro-6-(3,4-difluoroanilino)pyridine-4-carboxylic acid
CID 43343649
2-(2-bromo-6-chloro-4-fluoroanilino)-6-chloropyridine-4-carboxylic acid
CID 107613264
3-chloro-6-(2,3,5,6-tetrafluoroanilino)pyridine-2-carboxylic acid
CID 107645085
2-chloro-6-(3,5-dichloroanilino)pyridine-4-carboxylic acid
CID 43343634
2-chloro-6-(3-chloro-2-fluoroanilino)pyridine-4-carboxylic acid
CID 43343692
2-chloro-6-(4-fluoro-3-methoxyanilino)pyridine-4-carboxylic acid
CID 114840067
6-chloro-2-(2,3,5,6-tetrafluoroanilino)pyridine-3-carboxylic acid
CID 107645109
2,6-dichloropyridine-4-carboxylic acid;iron
CID 174504494
2-chloro-6-[3-(trifluoromethyl)anilino]pyridine-4-carboxylic acid
CID 43343615
2-chloro-6-(3-chloro-4-methylanilino)pyridine-4-carboxylic acid
CID 43343601
2-chloro-6-(4,4,4-trifluorobutan-2-ylamino)pyridine-4-carboxylic acid
CID 114131107
2-(butan-2-ylamino)-6-chloropyridine-4-carboxylic acid
CID 21430349

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(2,3,5,6-tetrafluoroanilino)pyridine-4-carboxylic acid?
The IUPAC name of 2-chloro-6-(2,3,5,6-tetrafluoroanilino)pyridine-4-carboxylic acid (CID 107645086) is 2-chloro-6-(2,3,5,6-tetrafluoroanilino)pyridine-4-carboxylic acid.
What is the SMILES notation for 2-chloro-6-(2,3,5,6-tetrafluoroanilino)pyridine-4-carboxylic acid?
The canonical SMILES for 2-chloro-6-(2,3,5,6-tetrafluoroanilino)pyridine-4-carboxylic acid is O=C(O)c1cc(Cl)nc(Nc2c(F)c(F)cc(F)c2F)c1.
What is the InChIKey of 2-chloro-6-(2,3,5,6-tetrafluoroanilino)pyridine-4-carboxylic acid?
The InChIKey is WESCWLQHGLZASR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H5ClF4N2O2/c13-7-1-4(12(20)21)2-8(18-7)19-11-9(16)5(14)3-6(15)10(11)17/h1-3H,(H,18,19)(H,20,21).
What are the key properties of 2-chloro-6-(2,3,5,6-tetrafluoroanilino)pyridine-4-carboxylic acid?
2-chloro-6-(2,3,5,6-tetrafluoroanilino)pyridine-4-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 2-chloro-6-(2,3,5,6-tetrafluoroanilino)pyridine-4-carboxylic acid is sourced from PubChem (CID 107645086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).