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

C12H5ClF4N2O2 — CID 107645109

IUPAC6-chloro-2-(2,3,5,6-tetrafluoroanilino)pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(Cl)nc1Nc1c(F)c(F)cc(F)c1F
InChIInChI=1S/C12H5ClF4N2O2/c13-7-2-1-4(12(20)21)11(18-7)19-10-8(16)5(14)3-6(15)9(10)17/h1-3H,(H,18,19)(H,20,21)
InChIKeyFXOMKYSTAAIIRS-UHFFFAOYSA-N
MW320.63 g/mol
LogP3.73
Rot. Bonds3

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

6-chloro-2-(2,3,5,6-tetrafluoroanilino)pyridine-3-carboxylic acid (PubChem CID 107645109) has the molecular formula C12H5ClF4N2O2 and a molecular weight of 320.63 g/mol. Its IUPAC name is 6-chloro-2-(2,3,5,6-tetrafluoroanilino)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-chloro-2-(2,3,5,6-tetrafluoroanilino)pyridine-3-carboxylic acid
PubChem CID107645109
Molecular FormulaC12H5ClF4N2O2
Molecular Weight320.63 g/mol
Exact Mass320.00
IUPAC Name6-chloro-2-(2,3,5,6-tetrafluoroanilino)pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(Cl)nc1Nc1c(F)c(F)cc(F)c1F
InChIInChI=1S/C12H5ClF4N2O2/c13-7-2-1-4(12(20)21)11(18-7)19-10-8(16)5(14)3-6(15)9(10)17/h1-3H,(H,18,19)(H,20,21)
InChIKeyFXOMKYSTAAIIRS-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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-chloro-2-(3,4-difluoroanilino)pyridine-3-carboxylic acid
CID 63376482
2-(2,3,5,6-tetrafluoroanilino)pyridine-3-carboxylic acid
CID 107645096
6-chloro-2-(3,5-dichloroanilino)pyridine-3-carboxylic acid
CID 55224523
3-chloro-6-(2,3,5,6-tetrafluoroanilino)pyridine-2-carboxylic acid
CID 107645085
6-chloro-2-(5-fluoro-2-methylanilino)pyridine-3-carboxylic acid
CID 63537975
6-chloro-2-(4-chloro-2-iodoanilino)pyridine-3-carboxylic acid
CID 107636188
2-chloro-6-(2,3,5,6-tetrafluoroanilino)pyridine-4-carboxylic acid
CID 107645086
6-chloro-2-(2-chloro-5-iodoanilino)pyridine-3-carboxylic acid
CID 114260422
6-chloro-2-(1,3-dihydroxypropan-2-ylamino)pyridine-3-carboxylic acid
CID 65313622
6-chloro-2-(propan-2-ylamino)pyridine-3-carboxylic acid
CID 63376973
6-chloro-2-[2-(difluoromethylsulfanyl)anilino]pyridine-3-carboxylic acid
CID 63529030
6-chloro-2-(3-chloro-2-methylsulfanylanilino)pyridine-3-carboxylic acid
CID 155300840

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(2,3,5,6-tetrafluoroanilino)pyridine-3-carboxylic acid?
The IUPAC name of 6-chloro-2-(2,3,5,6-tetrafluoroanilino)pyridine-3-carboxylic acid (CID 107645109) is 6-chloro-2-(2,3,5,6-tetrafluoroanilino)pyridine-3-carboxylic acid.
What is the SMILES notation for 6-chloro-2-(2,3,5,6-tetrafluoroanilino)pyridine-3-carboxylic acid?
The canonical SMILES for 6-chloro-2-(2,3,5,6-tetrafluoroanilino)pyridine-3-carboxylic acid is O=C(O)c1ccc(Cl)nc1Nc1c(F)c(F)cc(F)c1F.
What is the InChIKey of 6-chloro-2-(2,3,5,6-tetrafluoroanilino)pyridine-3-carboxylic acid?
The InChIKey is FXOMKYSTAAIIRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H5ClF4N2O2/c13-7-2-1-4(12(20)21)11(18-7)19-10-8(16)5(14)3-6(15)9(10)17/h1-3H,(H,18,19)(H,20,21).
What are the key properties of 6-chloro-2-(2,3,5,6-tetrafluoroanilino)pyridine-3-carboxylic acid?
6-chloro-2-(2,3,5,6-tetrafluoroanilino)pyridine-3-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 6-chloro-2-(2,3,5,6-tetrafluoroanilino)pyridine-3-carboxylic acid is sourced from PubChem (CID 107645109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).